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

Systemtic Name: 4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole Openeye Name: 3-(4-methylsulfonylphenyl)-4-(o-tolyl)-5-(trifluoromethyl)-1H-pyrazole CAS Name: 4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole IUPAC Name: 4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole Traditional Name: 3-(4-mesylphenyl)-4-(o-tolyl)-5-(trifluoromethyl)-1H-pyrazole Formula: C18H15F3N2O2S MolecularWeight: 380.38411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O2S/c1-11-5-3-4-6-14(11)15-16(22-23-17(15)18(19,20)21)12-7-9-13(10-8-12)26(2,24)25/h3-10H,1-2H3,(H,22,23)