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

Systemtic Name: 3-[bis(fluoranyl)methyl]-1-(4-tert-butylphenyl)-5-(4-methylsulfonylphenyl)-4-phenyl-pyrazole Openeye Name: 1-(4-tert-butylphenyl)-3-(difluoromethyl)-5-(4-methylsulfonylphenyl)-4-phenyl-pyrazole CAS Name: 1-(4-tert-butylphenyl)-3-(difluoromethyl)-5-(4-methylsulfonylphenyl)-4-phenylpyrazole IUPAC Name: 1-(4-tert-butylphenyl)-3-(difluoromethyl)-5-(4-methylsulfonylphenyl)-4-phenylpyrazole Traditional Name: 1-(4-tert-butylphenyl)-3-(difluoromethyl)-5-(4-mesylphenyl)-4-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)N2C(=C(C(=N2)C(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)N2C(=C(C(=N2)C(F)F)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

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