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

Systemtic Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetate Formula: C5H6N3O2S- MolecularWeight: 172.18504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)[O-]

InChI

InChI=1S/C5H7N3O2S/c1-3-6-5(8-7-3)11-2-4(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)/p-1