3-[bis(fluoranyl)methyl]-4-(4-tert-butylphenyl)-5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole

Systemtic Name: 3-[bis(fluoranyl)methyl]-4-(4-tert-butylphenyl)-5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole Openeye Name: 4-(4-tert-butylphenyl)-3-(difluoromethyl)-5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole CAS Name: 4-(4-tert-butylphenyl)-3-(difluoromethyl)-5-(4-methylsulfonylphenyl)-1-phenylpyrazole IUPAC Name: 4-(4-tert-butylphenyl)-3-(difluoromethyl)-5-(4-methylsulfonylphenyl)-1-phenylpyrazole Traditional Name: 4-(4-tert-butylphenyl)-3-(difluoromethyl)-5-(4-mesylphenyl)-1-phenyl-pyrazole Formula: C27H26F2N2O2S MolecularWeight: 480.569346

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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)C3=CC=CC=C3)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)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C27H26F2N2O2S/c1-27(2,3)20-14-10-18(11-15-20)23-24(26(28)29)30-31(21-8-6-5-7-9-21)25(23)19-12-16-22(17-13-19)34(4,32)33/h5-17,26H,1-4H3