S-[[5-cyano-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]methyl] benzenecarbothioate

Systemtic Name: S-[[5-cyano-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]methyl] benzenecarbothioate Openeye Name: S-[[5-cyano-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyridin-6-yl]methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]methyl] ester IUPAC Name: S-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[5-cyano-2-keto-4-(p-tolyl)-3,4-dihydro-1H-pyridin-6-yl]methyl] ester Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)CSC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)CSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O2S/c1-14-7-9-15(10-8-14)17-11-20(24)23-19(18(17)12-22)13-26-21(25)16-5-3-2-4-6-16/h2-10,17H,11,13H2,1H3,(H,23,24)