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

Systemtic Name: 2-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]thio]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(3,4-dichlorophenyl)-2-keto-ethyl]thio]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Formula: C23H17Cl2N3O4S MolecularWeight: 502.36978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17Cl2N3O4S/c1-12-21(13(2)29)22(15-4-3-5-16(8-15)28(31)32)17(10-26)23(27-12)33-11-20(30)14-6-7-18(24)19(25)9-14/h3-9,22,27H,11H2,1-2H3