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

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-(4-methylsulfonylphenyl)-4-(4-nitrophenyl)-1-phenyl-pyrazole Openeye Name: 3-(difluoromethyl)-5-(4-methylsulfonylphenyl)-4-(4-nitrophenyl)-1-phenyl-pyrazole CAS Name: 3-(difluoromethyl)-5-(4-methylsulfonylphenyl)-4-(4-nitrophenyl)-1-phenylpyrazole IUPAC Name: 3-(difluoromethyl)-5-(4-methylsulfonylphenyl)-4-(4-nitrophenyl)-1-phenylpyrazole Traditional Name: 3-(difluoromethyl)-5-(4-mesylphenyl)-4-(4-nitrophenyl)-1-phenyl-pyrazole Formula: C23H17F2N3O4S MolecularWeight: 469.460586

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C(F)F)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C(F)F)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17F2N3O4S/c1-33(31,32)19-13-9-16(10-14-19)22-20(15-7-11-18(12-8-15)28(29)30)21(23(24)25)26-27(22)17-5-3-2-4-6-17/h2-14,23H,1H3