3-methyl-2-methylsulfanyl-1,3,4-thiadiazol-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-methyl-2-methylsulfanyl-1,3,4-thiadiazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 3-methyl-2-methylsulfanyl-1,3,4-thiadiazol-3-ium; trifluoromethanesulfonate CAS Name: 3-methyl-2-(methylthio)-1,3,4-thiadiazol-3-ium; trifluoromethanesulfonate IUPAC Name: 3-methyl-2-methylsulfanyl-1,3,4-thiadiazol-3-ium; trifluoromethanesulfonate Traditional Name: 3-methyl-2-(methylthio)-1,3,4-thiadiazol-3-ium triflate Formula: C5H7F3N2O3S3 MolecularWeight: 296.31089

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC=N1)SC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC=N1)SC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C4H7N2S2.CHF3O3S/c1-6-4(7-2)8-3-5-6;2-1(3,4)8(5,6)7/h3H,1-2H3;(H,5,6,7)/q+1;/p-1