3-methyl-5-(4-methylsulfonylphenyl)-2-phenyl-4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)-2H-1,3-thiazol-3-ium

Systemtic Name: 3-methyl-5-(4-methylsulfonylphenyl)-2-phenyl-4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)-2H-1,3-thiazol-3-ium Openeye Name: 3-methyl-5-(4-methylsulfonylphenyl)-2-phenyl-4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)-2H-thiazol-3-ium CAS Name: 3-methyl-5-(4-methylsulfonylphenyl)-2-phenyl-4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)-2H-thiazol-3-ium IUPAC Name: 3-methyl-5-(4-methylsulfonylphenyl)-2-phenyl-4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)-2H-1,3-thiazol-3-ium Traditional Name: 5-(4-mesylphenyl)-3-methyl-2-phenyl-4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)-4-thiazolin-3-ium Formula: C21H19F3N3O2S2+ MolecularWeight: 466.51967

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(SC(=C1C2=CC=NN2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

C[N+]1(C(SC(=C1C2=CC=NN2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N3O2S2/c1-27(21(22,23)24)18(17-12-13-25-26-17)19(30-20(27)15-6-4-3-5-7-15)14-8-10-16(11-9-14)31(2,28)29/h3-13,20H,1-2H3,(H,25,26)/q+1