(4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxamide

Systemtic Name: (4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4R)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-N-(o-tolyl)-4-(3-pyridyl)-3,4-dihydropyridine-3-carboxamide CAS Name: (4R)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-N-(2-methylphenyl)-4-(3-pyridinyl)-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4R)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4R)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-methyl-N-(o-tolyl)-4-(3-pyridyl)-3,4-dihydropyridine-3-carboxamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2S/c1-13-6-3-4-8-17(13)27-21(29)19-14(2)26-22(30-12-18(24)28)16(10-23)20(19)15-7-5-9-25-11-15/h3-9,11,19-20H,12H2,1-2H3,(H2,24,28)(H,27,29)/t19?,20-/m1/s1