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

Systemtic Name: 2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]acetate Formula: C5H7N4O2S- MolecularWeight: 187.19968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1N)SCC(=O)[O-]

InChI

InChI=1S/C5H8N4O2S/c1-3-7-8-5(9(3)6)12-2-4(10)11/h2,6H2,1H3,(H,10,11)/p-1