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

Systemtic Name: 4-(2-chlorophenyl)-5-ethanoyl-6-methyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-(2-chlorophenyl)-6-methyl-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(2-chlorophenyl)-6-methyl-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-4-(2-chlorophenyl)-6-methyl-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-(2-chlorophenyl)-2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C23H18ClN3O4S MolecularWeight: 467.92472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3Cl)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3Cl)C(=O)C

InChI

InChI=1S/C23H18ClN3O4S/c1-13-21(14(2)28)22(17-8-3-4-9-19(17)24)18(11-25)23(26-13)32-12-20(29)15-6-5-7-16(10-15)27(30)31/h3-10,22,26H,12H2,1-2H3