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

Systemtic Name: 2-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(4-iodo-2-methyl-phenyl)acetamide CAS Name: 2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)thio]-N-(4-iodo-2-methylphenyl)acetamide IUPAC Name: 2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide Traditional Name: 2-[(3-cyano-5-hydroxy-7-keto-4H-thieno[3,2-b]pyridin-2-yl)thio]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C17H12IN3O3S2 MolecularWeight: 497.32995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12IN3O3S2/c1-8-4-9(18)2-3-11(8)20-14(24)7-25-17-10(6-19)15-16(26-17)12(22)5-13(23)21-15/h2-5H,7H2,1H3,(H,20,24)(H2,21,22,23)