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

Systemtic Name: 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanoate Openeye Name: 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)acetate CAS Name: 2-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]acetate IUPAC Name: 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)acetate Traditional Name: 2-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]acetate Formula: C6H8N3O2S- MolecularWeight: 186.21162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)CC(=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SC)CC(=O)[O-]

InChI

InChI=1S/C6H9N3O2S/c1-9-4(3-5(10)11)7-8-6(9)12-2/h3H2,1-2H3,(H,10,11)/p-1