(4R)-3-cyano-2-hexylsulfanyl-6-methyl-N,4-diphenyl-3,4-dihydropyridine-5-carboxamide

Systemtic Name: (4R)-3-cyano-2-hexylsulfanyl-6-methyl-N,4-diphenyl-3,4-dihydropyridine-5-carboxamide Openeye Name: (4R)-3-cyano-2-hexylsulfanyl-6-methyl-N,4-diphenyl-3,4-dihydropyridine-5-carboxamide CAS Name: (4R)-3-cyano-2-(hexylthio)-6-methyl-N,4-diphenyl-3,4-dihydropyridine-5-carboxamide IUPAC Name: (4R)-3-cyano-2-hexylsulfanyl-6-methyl-N,4-diphenyl-3,4-dihydropyridine-5-carboxamide Traditional Name: (4R)-3-cyano-2-(hexylthio)-6-methyl-N,4-diphenyl-3,4-dihydropyridine-5-carboxamide Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=C(C(C1C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCSC1=NC(=C([C@H](C1C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C26H29N3OS/c1-3-4-5-12-17-31-26-22(18-27)24(20-13-8-6-9-14-20)23(19(2)28-26)25(30)29-21-15-10-7-11-16-21/h6-11,13-16,22,24H,3-5,12,17H2,1-2H3,(H,29,30)/t22?,24-/m0/s1