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

Systemtic Name: (4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(4-chlorophenyl)-5-cyano-2-methyl-4-pyridin-4-yl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4R)-6-(2-amino-2-oxo-ethyl)sulfanyl-N-(4-chlorophenyl)-5-cyano-2-methyl-4-(4-pyridyl)-3,4-dihydropyridine-3-carboxamide CAS Name: (4R)-6-[(2-amino-2-oxoethyl)thio]-N-(4-chlorophenyl)-5-cyano-2-methyl-4-pyridin-4-yl-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4R)-6-(2-amino-2-oxoethyl)sulfanyl-N-(4-chlorophenyl)-5-cyano-2-methyl-4-pyridin-4-yl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4R)-6-[(2-amino-2-keto-ethyl)thio]-N-(4-chlorophenyl)-5-cyano-2-methyl-4-(4-pyridyl)-3,4-dihydropyridine-3-carboxamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O2S/c1-12-18(20(29)27-15-4-2-14(22)3-5-15)19(13-6-8-25-9-7-13)16(10-23)21(26-12)30-11-17(24)28/h2-9,18-19H,11H2,1H3,(H2,24,28)(H,27,29)/t18?,19-/m1/s1