(3-methyl-2H-1,2,3-thiadiazol-2-ium-4-yl)methanethiol; tris(fluoranyl)methanesulfonate

Systemtic Name: (3-methyl-2H-1,2,3-thiadiazol-2-ium-4-yl)methanethiol; tris(fluoranyl)methanesulfonate Openeye Name: (3-methyl-2H-thiadiazol-2-ium-4-yl)methanethiol; trifluoromethanesulfonate CAS Name: (3-methyl-2H-thiadiazol-2-ium-4-yl)methanethiol; trifluoromethanesulfonate IUPAC Name: (3-methyl-2H-thiadiazol-2-ium-4-yl)methanethiol; trifluoromethanesulfonate Traditional Name: (3-methyl-2H-thiadiazol-2-ium-4-yl)methanethiol triflate Formula: C5H9F3N2O3S3 MolecularWeight: 298.32677

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CS[NH2+]1)CS.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CN1C(=CS[NH2+]1)CS.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C4H8N2S2.CHF3O3S/c1-6-4(2-7)3-8-5-6;2-1(3,4)8(5,6)7/h3,5,7H,2H2,1H3;(H,5,6,7)