1-[3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone CAS Name: 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]ethanone Formula: C14H15F3N2O2S MolecularWeight: 332.34131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C14H15F3N2O2S/c1-10-7-13(21,14(15,16)17)19(18-10)12(20)9-22-8-11-5-3-2-4-6-11/h2-6,21H,7-9H2,1H3