(E)-2-cyano-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(4-methylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(p-tolyl)acrylamide Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C21H19N3OS/c1-16-6-8-17(9-7-16)12-20(14-23)21(25)24-10-11-26-15-19-5-3-2-4-18(19)13-22/h2-9,12H,10-11,15H2,1H3,(H,24,25)/b20-12+