(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)methanethiol; tris(fluoranyl)methanesulfonate

Systemtic Name: (2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)methanethiol; tris(fluoranyl)methanesulfonate Openeye Name: (2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)methanethiol; trifluoromethanesulfonate CAS Name: (2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)methanethiol; trifluoromethanesulfonate IUPAC Name: (2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)methanethiol; trifluoromethanesulfonate Traditional Name: (2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)methanethiol triflate Formula: C6H10F3N3O3S2 MolecularWeight: 293.28711

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=[N+](C=N1)C)CS.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CN1C(=[N+](C=N1)C)CS.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C5H9N3S.CHF3O3S/c1-7-4-6-8(2)5(7)3-9;2-1(3,4)8(5,6)7/h4H,3H2,1-2H3;(H,5,6,7)