4-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)-2-prop-2-ynyl-3-(trifluoromethyl)-3H-pyrazole

Systemtic Name: 4-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)-2-prop-2-ynyl-3-(trifluoromethyl)-3H-pyrazole Openeye Name: 4-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)-2-prop-2-ynyl-3-(trifluoromethyl)-3H-pyrazole CAS Name: 4-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)-2-prop-2-ynyl-3-(trifluoromethyl)-3H-pyrazole IUPAC Name: 4-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)-2-prop-2-ynyl-3-(trifluoromethyl)-3H-pyrazole Traditional Name: 4-(4-fluorophenyl)-4-(3-mesylphenyl)-1-propargyl-5-(trifluoromethyl)-2-pyrazoline Formula: C20H16F4N2O2S MolecularWeight: 424.411853

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2(C=NN(C2C(F)(F)F)CC#C)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2(C=NN(C2C(F)(F)F)CC#C)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H16F4N2O2S/c1-3-11-26-18(20(22,23)24)19(13-25-26,14-7-9-16(21)10-8-14)15-5-4-6-17(12-15)29(2,27)28/h1,4-10,12-13,18H,11H2,2H3