1-[3,4-bis(oxidanyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone hydrochloride

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone hydrochloride Openeye Name: 1-(3,4-dihydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanone hydrochloride CAS Name: 1-(3,4-dihydroxyphenyl)-2-[(1-methyl-2-imidazolyl)thio]ethanone hydrochloride IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone hydrochloride Traditional Name: 1-(3,4-dihydroxyphenyl)-2-[(1-methylimidazol-2-yl)thio]ethanone hydrochloride Formula: C12H13ClN2O3S MolecularWeight: 300.76122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)C2=CC(=C(C=C2)O)O.Cl

Isomeric SMILES

CN1C=CN=C1SCC(=O)C2=CC(=C(C=C2)O)O.Cl

InChI

InChI=1S/C12H12N2O3S.ClH/c1-14-5-4-13-12(14)18-7-11(17)8-2-3-9(15)10(16)6-8;/h2-6,15-16H,7H2,1H3;1H