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

Systemtic Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]acetate Formula: C7H10N3O2S- MolecularWeight: 200.2382

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)[O-])C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)[O-])C

InChI

InChI=1S/C7H11N3O2S/c1-3-10-5(2)8-9-7(10)13-4-6(11)12/h3-4H2,1-2H3,(H,11,12)/p-1