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

Systemtic Name: N-(3-bromophenyl)-2-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide CAS Name: N-(3-bromophenyl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide Traditional Name: N-(3-bromophenyl)-2-[(3-cyano-5-hydroxy-7-keto-4H-thieno[3,2-b]pyridin-2-yl)thio]acetamide Formula: C16H10BrN3O3S2 MolecularWeight: 436.3029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrN3O3S2/c17-8-2-1-3-9(4-8)19-13(23)7-24-16-10(6-18)14-15(25-16)11(21)5-12(22)20-14/h1-5H,7H2,(H,19,23)(H2,20,21,22)