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

Systemtic Name: N-(4-bromophenyl)-2-[[5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide Formula: C21H18BrN3O4S MolecularWeight: 488.35432

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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)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O4S/c1-29-18-8-12(2-7-17(18)26)15-9-19(27)25-21(16(15)10-23)30-11-20(28)24-14-5-3-13(22)4-6-14/h2-8,15,26H,9,11H2,1H3,(H,24,28)(H,25,27)