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

Systemtic Name: 2-[[4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(o-tolyl)acetamide Formula: C22H20BrN3O4S MolecularWeight: 502.3809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN3O4S/c1-12-5-3-4-6-17(12)25-20(28)11-31-22-15(10-24)14(9-19(27)26-22)13-7-16(23)21(29)18(8-13)30-2/h3-8,14,29H,9,11H2,1-2H3,(H,25,28)(H,26,27)