1-(3,5-dimethyl-5-oxidanyl-3,4-dihydropyrazol-1-ium-1-yl)-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(3,5-dimethyl-5-oxidanyl-3,4-dihydropyrazol-1-ium-1-yl)-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-(5-hydroxy-3,5-dimethyl-3,4-dihydropyrazol-1-ium-1-yl)-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-(5-hydroxy-3,5-dimethyl-3,4-dihydropyrazol-1-ium-1-yl)-2-(2-pyridinylthio)ethanone IUPAC Name: 1-(5-hydroxy-3,5-dimethyl-3,4-dihydropyrazol-1-ium-1-yl)-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-(5-hydroxy-3,5-dimethyl-1-pyrazolin-1-ium-1-yl)-2-(2-pyridylthio)ethanone Formula: C12H16N3O2S+ MolecularWeight: 266.33934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC([N+](=N1)C(=O)CSC2=CC=CC=N2)(C)O

Isomeric SMILES

CC1CC([N+](=N1)C(=O)CSC2=CC=CC=N2)(C)O

InChI

InChI=1S/C12H16N3O2S/c1-9-7-12(2,17)15(14-9)11(16)8-18-10-5-3-4-6-13-10/h3-6,9,17H,7-8H2,1-2H3/q+1