(4S)-3-ethanoyl-2-methyl-4-(3-nitrophenyl)-6-(phenylmethylsulfanyl)-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4S)-3-ethanoyl-2-methyl-4-(3-nitrophenyl)-6-(phenylmethylsulfanyl)-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-6-benzylsulfanyl-2-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-2-methyl-4-(3-nitrophenyl)-6-(phenylmethylthio)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-6-benzylsulfanyl-2-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-6-(benzylthio)-2-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C#N)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O3S/c1-14-20(15(2)26)21(17-9-6-10-18(11-17)25(27)28)19(12-23)22(24-14)29-13-16-7-4-3-5-8-16/h3-11,20-21H,13H2,1-2H3/t20?,21-/m0/s1