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

Systemtic Name: 2-butyl-5-cyano-N-(2-methylphenyl)-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide Openeye Name: 2-butyl-5-cyano-N-(o-tolyl)-6-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxamide CAS Name: 2-butyl-5-cyano-N-(2-methylphenyl)-6-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 2-butyl-5-cyano-N-(2-methylphenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide Traditional Name: 2-butyl-5-cyano-6-[[2-keto-2-(p-tolyl)ethyl]thio]-N-(o-tolyl)-4-(2-thienyl)-1,4-dihydropyridine-3-carboxamide Formula: C31H31N3O2S2 MolecularWeight: 541.72674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)C)C#N)C3=CC=CS3)C(=O)NC4=CC=CC=C4C

Isomeric SMILES

CCCCC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)C)C#N)C3=CC=CS3)C(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C31H31N3O2S2/c1-4-5-10-25-29(30(36)33-24-11-7-6-9-21(24)3)28(27-12-8-17-37-27)23(18-32)31(34-25)38-19-26(35)22-15-13-20(2)14-16-22/h6-9,11-17,28,34H,4-5,10,19H2,1-3H3,(H,33,36)