6-azanyl-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-phenyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 6-azanyl-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-amino-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-cyano-4-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-amino-2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-cyano-4-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-amino-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-cyano-4-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-amino-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-5-cyano-4-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)N)SCC(=O)C3=CC=C(C=C3)Cl)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)N)SCC(=O)C3=CC=C(C=C3)Cl)N)C#N

InChI

InChI=1S/C21H17ClN4O2S/c22-14-8-6-12(7-9-14)16(27)11-29-21-18(20(25)28)17(13-4-2-1-3-5-13)15(10-23)19(24)26-21/h1-9,17,26H,11,24H2,(H2,25,28)