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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-1-[3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone CAS Name: 2-[(2-chlorophenyl)methylthio]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Traditional Name: 2-[(2-chlorobenzyl)thio]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]ethanone Formula: C14H14ClF3N2O2S MolecularWeight: 366.78637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CSCC2=CC=CC=C2Cl

Isomeric SMILES

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CSCC2=CC=CC=C2Cl

InChI

InChI=1S/C14H14ClF3N2O2S/c1-9-6-13(22,14(16,17)18)20(19-9)12(21)8-23-7-10-4-2-3-5-11(10)15/h2-5,22H,6-8H2,1H3