(3-bromophenyl)-[(5S)-5-oxidanyl-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[(5S)-5-oxidanyl-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (3-bromophenyl)-[(5S)-5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (3-bromophenyl)-[(5S)-5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (3-bromophenyl)-[(5S)-5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (3-bromophenyl)-[(5S)-5-hydroxy-3,5-bis(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C12H7BrF6N2O2 MolecularWeight: 405.090599

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)Br)C(F)(F)F

Isomeric SMILES

C1C(=NN([C@]1(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)Br)C(F)(F)F

InChI

InChI=1S/C12H7BrF6N2O2/c13-7-3-1-2-6(4-7)9(22)21-10(23,12(17,18)19)5-8(20-21)11(14,15)16/h1-4,23H,5H2/t10-/m0/s1