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

Systemtic Name: 2-[[4-azanyl-5-(propylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(propylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(propylthio)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(propylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-[(propylthio)methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C8H13N4O2S2- MolecularWeight: 261.34442

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=NN=C(N1N)SCC(=O)[O-]

Isomeric SMILES

CCCSCC1=NN=C(N1N)SCC(=O)[O-]

InChI

InChI=1S/C8H14N4O2S2/c1-2-3-15-4-6-10-11-8(12(6)9)16-5-7(13)14/h2-5,9H2,1H3,(H,13,14)/p-1