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

Systemtic Name: (4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-4-yl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4R)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-N-phenyl-4-(4-pyridyl)-3,4-dihydropyridine-3-carboxamide CAS Name: (4R)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-N-phenyl-4-pyridin-4-yl-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4R)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-4-yl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4R)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-methyl-N-phenyl-4-(4-pyridyl)-3,4-dihydropyridine-3-carboxamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)NC2=CC=CC=C2)C3=CC=NC=C3)C#N)SCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2S/c1-13-18(20(28)26-15-5-3-2-4-6-15)19(14-7-9-24-10-8-14)16(11-22)21(25-13)29-12-17(23)27/h2-10,18-19H,12H2,1H3,(H2,23,27)(H,26,28)/t18?,19-/m1/s1