4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole

Systemtic Name: 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole Openeye Name: 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole CAS Name: 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole IUPAC Name: 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole Traditional Name: 4-(4-chlorophenyl)-3-(4-mesylphenyl)-1-propargyl-5-(trifluoromethyl)pyrazole Formula: C20H14ClF3N2O2S MolecularWeight: 438.85057

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)Cl)C(F)(F)F)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)Cl)C(F)(F)F)CC#C

InChI

InChI=1S/C20H14ClF3N2O2S/c1-3-12-26-19(20(22,23)24)17(13-4-8-15(21)9-5-13)18(25-26)14-6-10-16(11-7-14)29(2,27)28/h1,4-11H,12H2,2H3