3-[bis(fluoranyl)methyl]-1,4,5-tris(4-methylsulfonylphenyl)pyrazole

Systemtic Name: 3-[bis(fluoranyl)methyl]-1,4,5-tris(4-methylsulfonylphenyl)pyrazole Openeye Name: 3-(difluoromethyl)-1,4,5-tris(4-methylsulfonylphenyl)pyrazole CAS Name: 3-(difluoromethyl)-1,4,5-tris(4-methylsulfonylphenyl)pyrazole IUPAC Name: 3-(difluoromethyl)-1,4,5-tris(4-methylsulfonylphenyl)pyrazole Traditional Name: 3-(difluoromethyl)-1,4,5-tris(4-mesylphenyl)pyrazole Formula: C25H22F2N2O6S3 MolecularWeight: 580.643786

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H22F2N2O6S3/c1-36(30,31)19-10-4-16(5-11-19)22-23(25(26)27)28-29(18-8-14-21(15-9-18)38(3,34)35)24(22)17-6-12-20(13-7-17)37(2,32)33/h4-15,25H,1-3H3