3-[(4-methylphenyl)amino]-2-[3-(phenylsulfanylmethyl)phenyl]carbonyl-prop-2-enenitrile

Systemtic Name: 3-[(4-methylphenyl)amino]-2-[3-(phenylsulfanylmethyl)phenyl]carbonyl-prop-2-enenitrile Openeye Name: 3-(4-methylanilino)-2-[3-(phenylsulfanylmethyl)benzoyl]prop-2-enenitrile CAS Name: 3-(4-methylanilino)-2-[oxo-[3-[(phenylthio)methyl]phenyl]methyl]-2-propenenitrile IUPAC Name: 3-(4-methylanilino)-2-[3-(phenylsulfanylmethyl)benzoyl]prop-2-enenitrile Traditional Name: 2-[3-[(phenylthio)methyl]benzoyl]-3-(p-toluidino)acrylonitrile Formula: C24H20N2OS MolecularWeight: 384.4934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC=C(C#N)C(=O)C2=CC(=CC=C2)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC=C(C#N)C(=O)C2=CC(=CC=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C24H20N2OS/c1-18-10-12-22(13-11-18)26-16-21(15-25)24(27)20-7-5-6-19(14-20)17-28-23-8-3-2-4-9-23/h2-14,16,26H,17H2,1H3