6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(4-chlorophenyl)-5-cyano-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(4-chlorophenyl)-5-cyano-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-(2-amino-2-oxo-ethyl)sulfanyl-N-(4-chlorophenyl)-5-cyano-2-methyl-4-(4-pyridyl)-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[(2-amino-2-oxoethyl)thio]-N-(4-chlorophenyl)-5-cyano-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-(2-amino-2-oxoethyl)sulfanyl-N-(4-chlorophenyl)-5-cyano-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-N-(4-chlorophenyl)-5-cyano-2-methyl-4-(4-pyridyl)-1,4-dihydropyridine-3-carboxamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)Cl

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/h2-9,19,26H,11H2,1H3,(H2,24,28)(H,27,29)