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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-1-[(5S)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-1-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone CAS Name: 2-[(4-bromophenyl)methylthio]-1-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-1-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Traditional Name: 2-[(4-bromobenzyl)thio]-1-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]ethanone Formula: C14H14BrF3N2O2S MolecularWeight: 411.23737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN([C@](C1)(C(F)(F)F)O)C(=O)CSCC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H14BrF3N2O2S/c1-9-6-13(22,14(16,17)18)20(19-9)12(21)8-23-7-10-2-4-11(15)5-3-10/h2-5,22H,6-8H2,1H3/t13-/m0/s1