1,4,5-tris(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole

Systemtic Name: 1,4,5-tris(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Openeye Name: 1,4,5-tris(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole CAS Name: 1,4,5-tris(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole IUPAC Name: 1,4,5-tris(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Traditional Name: 1,4,5-tris(4-mesylphenyl)-3-(trifluoromethyl)pyrazole Formula: C25H21F3N2O6S3 MolecularWeight: 598.63425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21F3N2O6S3/c1-37(31,32)19-10-4-16(5-11-19)22-23(17-6-12-20(13-7-17)38(2,33)34)30(29-24(22)25(26,27)28)18-8-14-21(15-9-18)39(3,35)36/h4-15H,1-3H3