1-(3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-(2-pyridinylthio)ethanone IUPAC Name: 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-(5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl)-2-(2-pyridylthio)ethanone Formula: C12H15N3O2S MolecularWeight: 265.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)O)C(=O)CSC2=CC=CC=N2

Isomeric SMILES

CC1=NN(C(C1)(C)O)C(=O)CSC2=CC=CC=N2

InChI

InChI=1S/C12H15N3O2S/c1-9-7-12(2,17)15(14-9)11(16)8-18-10-5-3-4-6-13-10/h3-6,17H,7-8H2,1-2H3