2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetate Formula: C6H8N3O2S- MolecularWeight: 186.21162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)[O-]

InChI

InChI=1S/C6H9N3O2S/c1-2-4-7-6(9-8-4)12-3-5(10)11/h2-3H2,1H3,(H,10,11)(H,7,8,9)/p-1