Structure & Deep Data of SRS (C25H39N5O2S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The SRS molecule contains a total of 74 bond(s). There are 35 non-H bond(s), 14 multiple bond(s), 6 rotatable bond(s), 4 double bond(s), 10 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 2 secondary amide(s) (aliphatic), and 1 Pyrrole(s). Images of the chemical structure of SRS are given below:

The 2D chemical structure image of SRS is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of SRS are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of SRS is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of SRS. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying SRS Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of SRS

  The SMILES string of SRS is CC(C)CC(CS(C)(=N)=N)C(=O)NC1Cc2cn(CCCCCCNC1=O)c3ccccc23, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the SRS.

• Structure Data File (SDF/MOL File) of SRS

  The structure data file (SDF/MOL File) of SRS is available for download in the SDF page of SRS, which provides the information about the atoms, bonds, connectivity and coordinates of SRS. The SRS structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of SRS

  The molecular formula of SRS is available in chemical formula page of SRS, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of SRS

  The molecular weight of SRS is available in molecular weight page of SRS, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of SRS

  The SRS compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of SRS including the various registry numbers, if available:

  • 4-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.0(13,18)]nonadeca-12(19),13(18),15,17-tetraene-10-carbamoyl)penta-methylsulfonediimine
  • SRS

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SRS Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of SRS?
C25H39N5O2S
How many atoms and what are the elements included the SRS molecule?
72 atom(s) - 39 Hydrogen atom(s), 25 Carbon atom(s), 5 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the SRS structure?
74 bond(s) - 35 non-H bond(s), 14 multiple bond(s), 6 rotatable bond(s), 4 double bond(s), 10 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 2 secondary amide(s) (aliphatic), and 1 Pyrrole(s)
What’s the SRS’s molecular weight?
473.67446 g/mol
What’s the SMILES code of SRS?
CC(C)CC(CS(C)(=N)=N)C(=O)NC1Cc2cn(CCCCCCNC1=O)c3ccccc23
What’s the InChI string of SRS?
InChI=1S/C25H39N5O2S/c1-18(2)14-20(17-33(3,26)27)24(31)29-22-15-19-16-30(23-11-7-6-10-21(19)23)13-9-5-4-8-12-28-25(22)32/h6-7,10-11,16,18,20,22,26-27H,4-5,8-9,12-15,17H2,1-3H3,(H,28,32)(H,29,31)/t20-,22+/m1/s1
What’s the InChIKey code of SRS?
MQEMTMGYPYUQLH-IRLDBZIGSA-N

25 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).