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

Systemtic Name: (4S)-5-cyano-2-methyl-N-phenyl-6-(phenylmethylsulfanyl)-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4S)-6-benzylsulfanyl-5-cyano-2-methyl-N-phenyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxamide CAS Name: (4S)-5-cyano-2-methyl-N-phenyl-6-(phenylmethylthio)-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4S)-6-benzylsulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4S)-6-(benzylthio)-5-cyano-2-methyl-N-phenyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxamide Formula: C25H21N3OS2 MolecularWeight: 443.58374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)NC2=CC=CC=C2)C3=CC=CS3)C#N)SCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)NC2=CC=CC=C2)C3=CC=CS3)C#N)SCC4=CC=CC=C4

InChI

InChI=1S/C25H21N3OS2/c1-17-22(24(29)28-19-11-6-3-7-12-19)23(21-13-8-14-30-21)20(15-26)25(27-17)31-16-18-9-4-2-5-10-18/h2-14,22-23H,16H2,1H3,(H,28,29)/t22?,23-/m0/s1