(3S)-5-butyl-2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-4H-pyrazol-3-ol

Systemtic Name: (3S)-5-butyl-2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-4H-pyrazol-3-ol Openeye Name: (3S)-5-butyl-2-(p-tolylsulfonyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol CAS Name: (3S)-5-butyl-2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-4H-pyrazol-3-ol IUPAC Name: (3S)-5-butyl-2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-4H-pyrazol-3-ol Traditional Name: (3S)-5-butyl-2-tosyl-3-(trifluoromethyl)-2-pyrazolin-3-ol Formula: C15H19F3N2O3S MolecularWeight: 364.38317

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(C1)(C(F)(F)F)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC1=NN([C@](C1)(C(F)(F)F)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C15H19F3N2O3S/c1-3-4-5-12-10-14(21,15(16,17)18)20(19-12)24(22,23)13-8-6-11(2)7-9-13/h6-9,21H,3-5,10H2,1-2H3/t14-/m0/s1