N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]ethanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)thio]acetamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(3-cyano-5-hydroxy-7-keto-4H-thieno[3,2-b]pyridin-2-yl)thio]acetamide Formula: C17H9BrN4O3S3 MolecularWeight: 493.37736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)CSC3=C(C4=C(S3)C(=O)C=C(N4)O)C#N

Isomeric SMILES

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)CSC3=C(C4=C(S3)C(=O)C=C(N4)O)C#N

InChI

InChI=1S/C17H9BrN4O3S3/c18-7-1-2-9-11(3-7)27-17(20-9)22-13(25)6-26-16-8(5-19)14-15(28-16)10(23)4-12(24)21-14/h1-4H,6H2,(H,20,22,25)(H2,21,23,24)