2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoate

Systemtic Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoate Openeye Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate CAS Name: 2-(1H-1,2,4-triazol-5-ylthio)acetate IUPAC Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate Traditional Name: 2-(1H-1,2,4-triazol-5-ylthio)acetate Formula: C4H4N3O2S- MolecularWeight: 158.15846

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=N1)SCC(=O)[O-]

Isomeric SMILES

C1=NNC(=N1)SCC(=O)[O-]

InChI

InChI=1S/C4H5N3O2S/c8-3(9)1-10-4-5-2-6-7-4/h2H,1H2,(H,8,9)(H,5,6,7)/p-1