(4S)-4-(4-chlorophenyl)-5-ethanoyl-6-methyl-2-(2-oxidanylidenebutylsulfanyl)-3,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4S)-4-(4-chlorophenyl)-5-ethanoyl-6-methyl-2-(2-oxidanylidenebutylsulfanyl)-3,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-acetyl-4-(4-chlorophenyl)-6-methyl-2-(2-oxobutylsulfanyl)-3,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-acetyl-4-(4-chlorophenyl)-6-methyl-2-(2-oxobutylthio)-3,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-acetyl-4-(4-chlorophenyl)-6-methyl-2-(2-oxobutylsulfanyl)-3,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-acetyl-4-(4-chlorophenyl)-2-(2-ketobutylthio)-6-methyl-3,4-dihydropyridine-3-carbonitrile Formula: C19H19ClN2O2S MolecularWeight: 374.88436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CSC1=NC(=C(C(C1C#N)C2=CC=C(C=C2)Cl)C(=O)C)C

Isomeric SMILES

CCC(=O)CSC1=NC(=C([C@@H](C1C#N)C2=CC=C(C=C2)Cl)C(=O)C)C

InChI

InChI=1S/C19H19ClN2O2S/c1-4-15(24)10-25-19-16(9-21)18(13-5-7-14(20)8-6-13)17(12(3)23)11(2)22-19/h5-8,16,18H,4,10H2,1-3H3/t16?,18-/m1/s1