6-[[(5R)-3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl]-sulfanyl-methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(5R)-3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl]-sulfanyl-methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(5R)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-sulfanyl-methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[(5R)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-mercaptomethylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(5R)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-sulfanylmethylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[(5R)-5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl]-mercapto-methylene]cyclohexa-2,4-dien-1-one Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)O)C(=C2C=CC=CC2=O)S

Isomeric SMILES

CC1=NN([C@](C1)(C)O)C(=C2C=CC=CC2=O)S

InChI

InChI=1S/C12H14N2O2S/c1-8-7-12(2,16)14(13-8)11(17)9-5-3-4-6-10(9)15/h3-6,16-17H,7H2,1-2H3/t12-/m1/s1