2-(4-methylphenyl)sulfonyl-3,3-bis(methylsulfanyl)prop-2-enenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3,3-bis(methylsulfanyl)prop-2-enenitrile Openeye Name: 3,3-bis(methylsulfanyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 2-(4-methylphenyl)sulfonyl-3,3-bis(methylthio)-2-propenenitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-3,3-bis(methylsulfanyl)prop-2-enenitrile Traditional Name: 3,3-bis(methylthio)-2-tosyl-acrylonitrile Formula: C12H13NO2S3 MolecularWeight: 299.43212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=C(SC)SC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=C(SC)SC)C#N

InChI

InChI=1S/C12H13NO2S3/c1-9-4-6-10(7-5-9)18(14,15)11(8-13)12(16-2)17-3/h4-7H,1-3H3