2-[[4-(3-bromophenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-(3-bromophenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-(3-bromophenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]-N-phenyl-acetamide Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC(=CC=C3)Br

Isomeric SMILES

C1C(C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H16BrN3O2S/c21-14-6-4-5-13(9-14)16-10-18(25)24-20(17(16)11-22)27-12-19(26)23-15-7-2-1-3-8-15/h1-9,16H,10,12H2,(H,23,26)(H,24,25)