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

Systemtic Name: 2-[[4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide CAS Name: 2-[[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide IUPAC Name: 2-[[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide Formula: C15H14BrN3O4S MolecularWeight: 412.25836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrN3O4S/c1-23-11-3-7(2-10(16)14(11)22)8-4-13(21)19-15(9(8)5-17)24-6-12(18)20/h2-3,8,22H,4,6H2,1H3,(H2,18,20)(H,19,21)