S-[(2-methyl-1,2,3-thiadiazol-2-ium-4-yl)methyl] ethanethioate; tris(fluoranyl)methanesulfonate

Systemtic Name: S-[(2-methyl-1,2,3-thiadiazol-2-ium-4-yl)methyl] ethanethioate; tris(fluoranyl)methanesulfonate Openeye Name: S-[(2-methylthiadiazol-2-ium-4-yl)methyl] ethanethioate; trifluoromethanesulfonate CAS Name: ethanethioic acid S-[(2-methyl-4-thiadiazol-2-iumyl)methyl] ester; trifluoromethanesulfonate IUPAC Name: S-[(2-methylthiadiazol-2-ium-4-yl)methyl] ethanethioate; trifluoromethanesulfonate Traditional Name: ethanethioic acid S-[(2-methylthiadiazol-2-ium-4-yl)methyl] ester triflate Formula: C7H9F3N2O4S3 MolecularWeight: 338.34757

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CS[N+](=N1)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)SCC1=CS[N+](=N1)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C6H9N2OS2.CHF3O3S/c1-5(9)10-3-6-4-11-8(2)7-6;2-1(3,4)8(5,6)7/h4H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1