(4S)-5-cyano-2-methyl-N-phenyl-6-(phenylmethylsulfanyl)-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxamide

Systemtic Name: (4S)-5-cyano-2-methyl-N-phenyl-6-(phenylmethylsulfanyl)-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4S)-6-benzylsulfanyl-5-cyano-2-methyl-N-phenyl-4-(3-pyridyl)-3,4-dihydropyridine-3-carboxamide CAS Name: (4S)-5-cyano-2-methyl-N-phenyl-6-(phenylmethylthio)-4-(3-pyridinyl)-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4S)-6-benzylsulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4S)-6-(benzylthio)-5-cyano-2-methyl-N-phenyl-4-(3-pyridyl)-3,4-dihydropyridine-3-carboxamide Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)NC2=CC=CC=C2)C3=CN=CC=C3)C#N)SCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)NC2=CC=CC=C2)C3=CN=CC=C3)C#N)SCC4=CC=CC=C4

InChI

InChI=1S/C26H22N4OS/c1-18-23(25(31)30-21-12-6-3-7-13-21)24(20-11-8-14-28-16-20)22(15-27)26(29-18)32-17-19-9-4-2-5-10-19/h2-14,16,23-24H,17H2,1H3,(H,30,31)/t23?,24-/m0/s1