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

Systemtic Name: 1-ethyl-4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole Openeye Name: 1-ethyl-3-(4-methylsulfonylphenyl)-4-(o-tolyl)-5-(trifluoromethyl)pyrazole CAS Name: 1-ethyl-4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole IUPAC Name: 1-ethyl-4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole Traditional Name: 1-ethyl-3-(4-mesylphenyl)-4-(o-tolyl)-5-(trifluoromethyl)pyrazole Formula: C20H19F3N2O2S MolecularWeight: 408.43727

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3C)C(F)(F)F

Isomeric SMILES

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3C)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O2S/c1-4-25-19(20(21,22)23)17(16-8-6-5-7-13(16)2)18(24-25)14-9-11-15(12-10-14)28(3,26)27/h5-12H,4H2,1-3H3