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

Systemtic Name: 5-cyano-2-methyl-N,4-diphenyl-6-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-benzylsulfanyl-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-2-methyl-N,4-diphenyl-6-(phenylmethylthio)-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-benzylsulfanyl-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-(benzylthio)-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Formula: C27H23N3OS MolecularWeight: 437.55602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

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