2-[[4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)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-(4-fluorophenyl)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-(4-fluorophenyl)acetamide CAS Name: 2-[[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)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-(4-fluorophenyl)acetamide Formula: C21H17BrFN3O4S MolecularWeight: 506.344783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)F)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)F)Br)O

InChI

InChI=1S/C21H17BrFN3O4S/c1-30-17-7-11(6-16(22)20(17)29)14-8-18(27)26-21(15(14)9-24)31-10-19(28)25-13-4-2-12(23)3-5-13/h2-7,14,29H,8,10H2,1H3,(H,25,28)(H,26,27)