(Z)-2-(4-methylphenyl)carbonyl-3-phenylazanyl-3-sulfanyl-prop-2-enenitrile

Systemtic Name: (Z)-2-(4-methylphenyl)carbonyl-3-phenylazanyl-3-sulfanyl-prop-2-enenitrile Openeye Name: (Z)-3-anilino-2-(4-methylbenzoyl)-3-sulfanyl-prop-2-enenitrile CAS Name: (Z)-3-anilino-3-mercapto-2-[(4-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (Z)-3-anilino-2-(4-methylbenzoyl)-3-sulfanylprop-2-enenitrile Traditional Name: (Z)-3-anilino-3-mercapto-2-p-toluoyl-acrylonitrile Formula: C17H14N2OS MolecularWeight: 294.37086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2)S)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C(=C(/NC2=CC=CC=C2)\S)/C#N

InChI

InChI=1S/C17H14N2OS/c1-12-7-9-13(10-8-12)16(20)15(11-18)17(21)19-14-5-3-2-4-6-14/h2-10,19,21H,1H3/b17-15-