4-(4-butoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole

Systemtic Name: 4-(4-butoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole Openeye Name: 4-(4-butoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole CAS Name: 4-(4-butoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole IUPAC Name: 4-(4-butoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole Traditional Name: 4-(4-butoxyphenyl)-3-(4-mesylphenyl)-5-(trifluoromethyl)-1H-pyrazole Formula: C21H21F3N2O3S MolecularWeight: 438.46325

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O3S/c1-3-4-13-29-16-9-5-14(6-10-16)18-19(25-26-20(18)21(22,23)24)15-7-11-17(12-8-15)30(2,27)28/h5-12H,3-4,13H2,1-2H3,(H,25,26)