N-(2-bromanyl-4-methyl-phenyl)-2-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(3-cyano-5-hydroxy-7-keto-4H-thieno[3,2-b]pyridin-2-yl)thio]acetamide Formula: C17H12BrN3O3S2 MolecularWeight: 450.32948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N)Br

InChI

InChI=1S/C17H12BrN3O3S2/c1-8-2-3-11(10(18)4-8)20-14(24)7-25-17-9(6-19)15-16(26-17)12(22)5-13(23)21-15/h2-5H,7H2,1H3,(H,20,24)(H2,21,22,23)