5-ethanoyl-6-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-4-(3-nitrophenyl)-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-keto-2-(p-tolyl)ethyl]thio]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)C)C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)C)C3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C24H21N3O4S/c1-14-7-9-17(10-8-14)21(29)13-32-24-20(12-25)23(22(16(3)28)15(2)26-24)18-5-4-6-19(11-18)27(30)31/h4-11,23,26H,13H2,1-3H3