2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]-1-oxido-pyridin-1-ium CAS Name: 2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-2-imidazolyl]-1-oxidopyridin-1-ium IUPAC Name: 2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]-1-oxidopyridin-1-ium Traditional Name: 5-[1-(4-mesylphenyl)-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1-oxido-pyridin-1-ium Formula: C17H14F3N3O3S MolecularWeight: 397.37157

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)C2=NC(=CN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)[O-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)C2=NC(=CN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)[O-]

InChI

InChI=1S/C17H14F3N3O3S/c1-11-3-4-12(9-23(11)24)16-21-15(17(18,19)20)10-22(16)13-5-7-14(8-6-13)27(2,25)26/h3-10H,1-2H3