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

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

Systemtic Name:4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazole
Openeye Name:3-(4-methylsulfonylphenyl)-4-(o-tolyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazole
CAS Name:4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazole
IUPAC Name:4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazole
Traditional Name:3-(4-mesylphenyl)-4-(o-tolyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazole
Formula: C21H17F3N2O2S
MolecularWeight: 418.43209
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Descriptors Computed from Structure

Canonical SMILES:

CC#CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3C)C(F)(F)F


Isomeric SMILES

CC#CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3C)C(F)(F)F


InChI

InChI=1S/C21H17F3N2O2S/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/h5-12H,1-3H3


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