2-(3-methyl-2-methylsulfanyl-imidazol-3-ium-1-yl)ethanethiol; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-(3-methyl-2-methylsulfanyl-imidazol-3-ium-1-yl)ethanethiol; tris(fluoranyl)methanesulfonate Openeye Name: 2-(3-methyl-2-methylsulfanyl-imidazol-3-ium-1-yl)ethanethiol; trifluoromethanesulfonate CAS Name: 2-[3-methyl-2-(methylthio)-1-imidazol-3-iumyl]ethanethiol; trifluoromethanesulfonate IUPAC Name: 2-(3-methyl-2-methylsulfanylimidazol-3-ium-1-yl)ethanethiol; trifluoromethanesulfonate Traditional Name: 2-[3-methyl-2-(methylthio)imidazol-3-ium-1-yl]ethanethiol triflate Formula: C8H13F3N2O3S3 MolecularWeight: 338.39063

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C=C1)CCS)SC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(N(C=C1)CCS)SC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C7H12N2S2.CHF3O3S/c1-8-3-4-9(5-6-10)7(8)11-2;2-1(3,4)8(5,6)7/h3-4H,5-6H2,1-2H3;(H,5,6,7)