1-[5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-4-oxidanyl-butan-1-one

Systemtic Name: 1-[5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-4-oxidanyl-butan-1-one Openeye Name: 4-hydroxy-1-[5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-one CAS Name: 4-hydroxy-1-[5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]-3-pyrazolyl]-1-butanone IUPAC Name: 4-hydroxy-1-[5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-one Traditional Name: 4-hydroxy-1-[5-(4-mesylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-one Formula: C21H19F3N2O4S MolecularWeight: 452.44677

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(F)(F)F)C(=O)CCCO

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(F)(F)F)C(=O)CCCO

InChI

InChI=1S/C21H19F3N2O4S/c1-31(29,30)17-10-4-14(5-11-17)19-13-18(20(28)3-2-12-27)25-26(19)16-8-6-15(7-9-16)21(22,23)24/h4-11,13,27H,2-3,12H2,1H3