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

Systemtic Name: 2-[[4-(3-bromophenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[4-(3-bromophenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(o-tolyl)acetamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=CC=C3)Br)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=CC=C3)Br)C#N

InChI

InChI=1S/C21H18BrN3O2S/c1-13-5-2-3-8-18(13)24-20(27)12-28-21-17(11-23)16(10-19(26)25-21)14-6-4-7-15(22)9-14/h2-9,16H,10,12H2,1H3,(H,24,27)(H,25,26)