2-phenyl-4-(phenylcarbonyl)-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfonylmethyl]-1H-pyrazol-3-one

Systemtic Name: 2-phenyl-4-(phenylcarbonyl)-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfonylmethyl]-1H-pyrazol-3-one Openeye Name: 4-benzoyl-2-phenyl-5-[[5-(trifluoromethyl)-2-pyridyl]sulfonylmethyl]-1H-pyrazol-3-one CAS Name: 4-benzoyl-2-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]-1H-pyrazol-3-one IUPAC Name: 4-benzoyl-2-phenyl-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfonylmethyl]-1H-pyrazol-3-one Traditional Name: 4-benzoyl-2-phenyl-5-[[5-(trifluoromethyl)-2-pyridyl]sulfonylmethyl]-3-pyrazolin-3-one Formula: C23H16F3N3O4S MolecularWeight: 487.45105

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(NN(C2=O)C3=CC=CC=C3)CS(=O)(=O)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(NN(C2=O)C3=CC=CC=C3)CS(=O)(=O)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H16F3N3O4S/c24-23(25,26)16-11-12-19(27-13-16)34(32,33)14-18-20(21(30)15-7-3-1-4-8-15)22(31)29(28-18)17-9-5-2-6-10-17/h1-13,28H,14H2