1-[3,4-bis(oxidanyl)phenyl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-(2-pyridinylthio)ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(2-pyridylthio)ethanone Formula: C13H11NO3S MolecularWeight: 261.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC(=O)C2=CC(=C(C=C2)O)O

Isomeric SMILES

C1=CC=NC(=C1)SCC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C13H11NO3S/c15-10-5-4-9(7-11(10)16)12(17)8-18-13-3-1-2-6-14-13/h1-7,15-16H,8H2