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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N4O2S/c1-5(2)3-6-10-11-8(12(6)9)15-4-7(13)14/h5H,3-4,9H2,1-2H3,(H,13,14)/p-1