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

Systemtic Name: (4S)-2-butylsulfanyl-5-ethanoyl-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-acetyl-2-butylsulfanyl-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-acetyl-2-(butylthio)-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-acetyl-2-butylsulfanyl-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-acetyl-2-(butylthio)-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C(C1C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C

Isomeric SMILES

CCCCSC1=NC(=C([C@@H](C1C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C

InChI

InChI=1S/C19H21N3O3S/c1-4-5-9-26-19-16(11-20)18(17(13(3)23)12(2)21-19)14-7-6-8-15(10-14)22(24)25/h6-8,10,16,18H,4-5,9H2,1-3H3/t16?,18-/m1/s1