5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate

Systemtic Name: 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate Openeye Name: 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate CAS Name: 5-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-2-thiophenesulfonate IUPAC Name: 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate Traditional Name: 5-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]thiophene-2-sulfonate Formula: C8H8N3O3S3- MolecularWeight: 290.36242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2=CC=C(S2)S(=O)(=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SC)C2=CC=C(S2)S(=O)(=O)[O-]

InChI

InChI=1S/C8H9N3O3S3/c1-11-7(9-10-8(11)15-2)5-3-4-6(16-5)17(12,13)14/h3-4H,1-2H3,(H,12,13,14)/p-1