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

Systemtic Name: (4R)-5-cyano-2-methyl-N-(2-methylphenyl)-6-(phenylmethylsulfanyl)-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4R)-6-benzylsulfanyl-5-cyano-2-methyl-N-(o-tolyl)-4-(3-pyridyl)-3,4-dihydropyridine-3-carboxamide CAS Name: (4R)-5-cyano-2-methyl-N-(2-methylphenyl)-6-(phenylmethylthio)-4-(3-pyridinyl)-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4R)-6-benzylsulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4R)-6-(benzylthio)-5-cyano-2-methyl-N-(o-tolyl)-4-(3-pyridyl)-3,4-dihydropyridine-3-carboxamide Formula: C27H24N4OS MolecularWeight: 452.57066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2C(C(=C(N=C2C)SCC3=CC=CC=C3)C#N)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2[C@@H](C(=C(N=C2C)SCC3=CC=CC=C3)C#N)C4=CN=CC=C4

InChI

InChI=1S/C27H24N4OS/c1-18-9-6-7-13-23(18)31-26(32)24-19(2)30-27(33-17-20-10-4-3-5-11-20)22(15-28)25(24)21-12-8-14-29-16-21/h3-14,16,24-25H,17H2,1-2H3,(H,31,32)/t24?,25-/m1/s1