5-cyano-6-methyl-N,4-diphenyl-2-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide hydrochloride

Systemtic Name: 5-cyano-6-methyl-N,4-diphenyl-2-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide hydrochloride Openeye Name: 2-benzylsulfanyl-5-cyano-6-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide hydrochloride CAS Name: 5-cyano-6-methyl-N,4-diphenyl-2-(phenylmethylthio)-1,4-dihydropyridine-3-carboxamide hydrochloride IUPAC Name: 2-benzylsulfanyl-5-cyano-6-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide hydrochloride Traditional Name: 2-(benzylthio)-5-cyano-6-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide hydrochloride Formula: C27H24ClN3OS MolecularWeight: 474.01696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C#N.Cl

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C#N.Cl

InChI

InChI=1S/C27H23N3OS.ClH/c1-19-23(17-28)24(21-13-7-3-8-14-21)25(26(31)30-22-15-9-4-10-16-22)27(29-19)32-18-20-11-5-2-6-12-20;/h2-16,24,29H,18H2,1H3,(H,30,31);1H