3-(4-methylsulfanylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-(4-methylsulfanylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[4-(methylthio)phenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-[4-(methylthio)phenyl]acrylonitrile Formula: C16H13NO2S2 MolecularWeight: 315.40992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CSC1=CC=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H13NO2S2/c1-20-14-9-7-13(8-10-14)11-16(12-17)21(18,19)15-5-3-2-4-6-15/h2-11H,1H3