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

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]acetate Formula: C8H13N4O2S- MolecularWeight: 229.27942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC(=O)[O-]

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC(=O)[O-]

InChI

InChI=1S/C8H14N4O2S/c1-2-3-4-6-10-11-8(12(6)9)15-5-7(13)14/h2-5,9H2,1H3,(H,13,14)/p-1