5-cyano-6-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 5-cyano-6-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-6-[2-(2,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-6-[[2-(2,5-dimethylanilino)-2-oxoethyl]thio]-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-6-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-6-[[2-(2,5-dimethylanilino)-2-keto-ethyl]thio]-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C31H30N4O3S MolecularWeight: 538.6599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4)C#N

InChI

InChI=1S/C31H30N4O3S/c1-19-14-15-20(2)25(16-19)34-27(36)18-39-31-23(17-32)29(22-10-6-5-7-11-22)28(21(3)33-31)30(37)35-24-12-8-9-13-26(24)38-4/h5-16,29,33H,18H2,1-4H3,(H,34,36)(H,35,37)