3-[[(4R)-5-(4-bromophenyl)-4-oxidanyl-4-(trifluoromethyl)-3H-pyrazol-2-yl]carbonyl]benzenethiolate

Systemtic Name: 3-[[(4R)-5-(4-bromophenyl)-4-oxidanyl-4-(trifluoromethyl)-3H-pyrazol-2-yl]carbonyl]benzenethiolate Openeye Name: 3-[(4R)-5-(4-bromophenyl)-4-hydroxy-4-(trifluoromethyl)-3H-pyrazole-2-carbonyl]benzenethiolate CAS Name: 3-[[(4R)-5-(4-bromophenyl)-4-hydroxy-4-(trifluoromethyl)-3H-pyrazol-2-yl]-oxomethyl]benzenethiolate IUPAC Name: 3-[(4R)-5-(4-bromophenyl)-4-hydroxy-4-(trifluoromethyl)-3H-pyrazole-2-carbonyl]benzenethiolate Traditional Name: 3-[(4R)-3-(4-bromophenyl)-4-hydroxy-4-(trifluoromethyl)-2-pyrazoline-1-carbonyl]benzenethiolate Formula: C17H11BrF3N2O2S- MolecularWeight: 444.24565

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN1C(=O)C2=CC(=CC=C2)[S-])C3=CC=C(C=C3)Br)(C(F)(F)F)O

Isomeric SMILES

C1[C@@](C(=NN1C(=O)C2=CC(=CC=C2)[S-])C3=CC=C(C=C3)Br)(C(F)(F)F)O

InChI

InChI=1S/C17H12BrF3N2O2S/c18-12-6-4-10(5-7-12)14-16(25,17(19,20)21)9-23(22-14)15(24)11-2-1-3-13(26)8-11/h1-8,25-26H,9H2/p-1/t16-/m1/s1