5-cyano-2-methyl-N-(2-methylphenyl)-6-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 5-cyano-2-methyl-N-(2-methylphenyl)-6-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-2-methyl-6-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-N-(o-tolyl)-4-(2-thienyl)-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-2-methyl-N-(2-methylphenyl)-6-[[2-(4-nitroanilino)-2-oxoethyl]thio]-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-2-methyl-N-(2-methylphenyl)-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-6-[[2-keto-2-(4-nitroanilino)ethyl]thio]-2-methyl-N-(o-tolyl)-4-(2-thienyl)-1,4-dihydropyridine-3-carboxamide Formula: C27H23N5O4S2 MolecularWeight: 545.63262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CS3)C#N)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CS3)C#N)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C27H23N5O4S2/c1-16-6-3-4-7-21(16)31-26(34)24-17(2)29-27(20(14-28)25(24)22-8-5-13-37-22)38-15-23(33)30-18-9-11-19(12-10-18)32(35)36/h3-13,25,29H,15H2,1-2H3,(H,30,33)(H,31,34)