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

Systemtic Name: 4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enyl-5-(trifluoromethyl)pyrazole Openeye Name: 1-allyl-3-(4-methylsulfonylphenyl)-4-(o-tolyl)-5-(trifluoromethyl)pyrazole CAS Name: 4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enyl-5-(trifluoromethyl)pyrazole IUPAC Name: 4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enyl-5-(trifluoromethyl)pyrazole Traditional Name: 1-allyl-3-(4-mesylphenyl)-4-(o-tolyl)-5-(trifluoromethyl)pyrazole Formula: C21H19F3N2O2S MolecularWeight: 420.44797

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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)CC=C)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O2S/c1-4-13-26-20(21(22,23)24)18(17-8-6-5-7-14(17)2)19(25-26)15-9-11-16(12-10-15)29(3,27)28/h4-12H,1,13H2,2-3H3