1-ethyl-4-(4-methoxy-3-methyl-phenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole

Systemtic Name: 1-ethyl-4-(4-methoxy-3-methyl-phenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole Openeye Name: 1-ethyl-4-(4-methoxy-3-methyl-phenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole CAS Name: 1-ethyl-4-(4-methoxy-3-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole IUPAC Name: 1-ethyl-4-(4-methoxy-3-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole Traditional Name: 1-ethyl-3-(4-mesylphenyl)-4-(4-methoxy-3-methyl-phenyl)-5-(trifluoromethyl)pyrazole Formula: C21H21F3N2O3S MolecularWeight: 438.46325

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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(=C(C=C3)OC)C)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N2O3S/c1-5-26-20(21(22,23)24)18(15-8-11-17(29-3)13(2)12-15)19(25-26)14-6-9-16(10-7-14)30(4,27)28/h6-12H,5H2,1-4H3