2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetate Formula: C5H6N3O2S- MolecularWeight: 172.18504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)[O-]

Isomeric SMILES

CN1C=NN=C1SCC(=O)[O-]

InChI

InChI=1S/C5H7N3O2S/c1-8-3-6-7-5(8)11-2-4(9)10/h3H,2H2,1H3,(H,9,10)/p-1