2-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=S)N1CC(=O)[O-]

Isomeric SMILES

C1=NNC(=S)N1CC(=O)[O-]

InChI

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