4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfonylphenyl)-1-oxidanyl-5-(trifluoromethyl)pyrazol-1-ium

Systemtic Name: 4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfonylphenyl)-1-oxidanyl-5-(trifluoromethyl)pyrazol-1-ium Openeye Name: 4-(4-fluorophenyl)-1-hydroxy-1-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-ium CAS Name: 4-(4-fluorophenyl)-1-hydroxy-1-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-ium IUPAC Name: 4-(4-fluorophenyl)-1-hydroxy-1-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-ium Traditional Name: 4-(4-fluorophenyl)-1-hydroxy-3-(4-mesylphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-1-ium Formula: C18H15F4N2O3S+ MolecularWeight: 415.381913

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C(F)(F)F)O

Isomeric SMILES

C[N+]1(C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C(F)(F)F)O

InChI

InChI=1S/C18H15F4N2O3S/c1-24(25)17(18(20,21)22)15(11-3-7-13(19)8-4-11)16(23-24)12-5-9-14(10-6-12)28(2,26)27/h3-10,25H,1-2H3/q+1