1,4-bis(4-tert-butylphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole

Systemtic Name: 1,4-bis(4-tert-butylphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Openeye Name: 1,4-bis(4-tert-butylphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole CAS Name: 1,4-bis(4-tert-butylphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole IUPAC Name: 1,4-bis(4-tert-butylphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Traditional Name: 1,4-bis(4-tert-butylphenyl)-5-(4-mesylphenyl)-3-(trifluoromethyl)pyrazole Formula: C31H33F3N2O2S MolecularWeight: 554.66613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(N(N=C2C(F)(F)F)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N(N=C2C(F)(F)F)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C31H33F3N2O2S/c1-29(2,3)22-12-8-20(9-13-22)26-27(21-10-18-25(19-11-21)39(7,37)38)36(35-28(26)31(32,33)34)24-16-14-23(15-17-24)30(4,5)6/h8-19H,1-7H3