5-(4-methylsulfonylphenyl)-1-(4-methylthiophen-2-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-1-ium

Systemtic Name: 5-(4-methylsulfonylphenyl)-1-(4-methylthiophen-2-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-1-ium Openeye Name: 5-(4-methylsulfonylphenyl)-1-(4-methyl-2-thienyl)-1-phenyl-3-(trifluoromethyl)pyrazol-1-ium CAS Name: 5-(4-methylsulfonylphenyl)-1-(4-methyl-2-thiophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-1-ium IUPAC Name: 5-(4-methylsulfonylphenyl)-1-(4-methylthiophen-2-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-1-ium Traditional Name: 5-(4-mesylphenyl)-1-(4-methyl-2-thienyl)-1-phenyl-3-(trifluoromethyl)pyrazol-1-ium Formula: C22H18F3N2O2S2+ MolecularWeight: 463.51573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)[N+]2(C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=C1)[N+]2(C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H18F3N2O2S2/c1-15-12-21(30-14-15)27(17-6-4-3-5-7-17)19(13-20(26-27)22(23,24)25)16-8-10-18(11-9-16)31(2,28)29/h3-14H,1-2H3/q+1