N-[3-[4-(5-cyano-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridin-3-yl)phenyl]prop-2-ynyl]methanesulfonamide

Systemtic Name: N-[3-[4-(5-cyano-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridin-3-yl)phenyl]prop-2-ynyl]methanesulfonamide Openeye Name: N-[3-[4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]prop-2-ynyl]methanesulfonamide CAS Name: N-[3-[4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]prop-2-ynyl]methanesulfonamide IUPAC Name: N-[3-[4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]prop-2-ynyl]methanesulfonamide Traditional Name: N-[3-[4-(5-cyano-6-hydroxy-4-keto-7H-thieno[2,3-b]pyridin-3-yl)phenyl]prop-2-ynyl]methanesulfonamide Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC#CC1=CC=C(C=C1)C2=CSC3=C2C(=O)C(=C(N3)O)C#N

Isomeric SMILES

CS(=O)(=O)NCC#CC1=CC=C(C=C1)C2=CSC3=C2C(=O)C(=C(N3)O)C#N

InChI

InChI=1S/C18H13N3O4S2/c1-27(24,25)20-8-2-3-11-4-6-12(7-5-11)14-10-26-18-15(14)16(22)13(9-19)17(23)21-18/h4-7,10,20H,8H2,1H3,(H2,21,22,23)