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

Systemtic Name: (4S)-5-ethanoyl-6-methyl-4-(3-nitrophenyl)-2-propylsulfanyl-3,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-acetyl-6-methyl-4-(3-nitrophenyl)-2-propylsulfanyl-3,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-acetyl-6-methyl-4-(3-nitrophenyl)-2-(propylthio)-3,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-acetyl-6-methyl-4-(3-nitrophenyl)-2-propylsulfanyl-3,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-acetyl-6-methyl-4-(3-nitrophenyl)-2-(propylthio)-3,4-dihydropyridine-3-carbonitrile Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(C(C1C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C

Isomeric SMILES

CCCSC1=NC(=C([C@@H](C1C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C

InChI

InChI=1S/C18H19N3O3S/c1-4-8-25-18-15(10-19)17(16(12(3)22)11(2)20-18)13-6-5-7-14(9-13)21(23)24/h5-7,9,15,17H,4,8H2,1-3H3/t15?,17-/m1/s1