4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-1-(phenylmethyl)-5-(trifluoromethyl)pyrazole

Systemtic Name: 4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-1-(phenylmethyl)-5-(trifluoromethyl)pyrazole Openeye Name: 1-benzyl-3-(4-methylsulfonylphenyl)-4-(o-tolyl)-5-(trifluoromethyl)pyrazole CAS Name: 4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-1-(phenylmethyl)-5-(trifluoromethyl)pyrazole IUPAC Name: 1-benzyl-4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole Traditional Name: 1-benzyl-3-(4-mesylphenyl)-4-(o-tolyl)-5-(trifluoromethyl)pyrazole Formula: C25H21F3N2O2S MolecularWeight: 470.50665

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C25H21F3N2O2S/c1-17-8-6-7-11-21(17)22-23(19-12-14-20(15-13-19)33(2,31)32)29-30(24(22)25(26,27)28)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3