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

Systemtic Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole Openeye Name: 3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-4-(p-tolyl)-5-(trifluoromethyl)pyrazole CAS Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole IUPAC Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole Traditional Name: 3-(4-mesylphenyl)-1-propargyl-4-(p-tolyl)-5-(trifluoromethyl)pyrazole Formula: C21H17F3N2O2S MolecularWeight: 418.43209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#C)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#C)C(F)(F)F

InChI

InChI=1S/C21H17F3N2O2S/c1-4-13-26-20(21(22,23)24)18(15-7-5-14(2)6-8-15)19(25-26)16-9-11-17(12-10-16)29(3,27)28/h1,5-12H,13H2,2-3H3