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

Systemtic Name: 2-[[4-azanyl-5-(ethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(ethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(ethylthio)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(ethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-[(ethylthio)methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C7H11N4O2S2- MolecularWeight: 247.31784

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=NN=C(N1N)SCC(=O)[O-]

Isomeric SMILES

CCSCC1=NN=C(N1N)SCC(=O)[O-]

InChI

InChI=1S/C7H12N4O2S2/c1-2-14-3-5-9-10-7(11(5)8)15-4-6(12)13/h2-4,8H2,1H3,(H,12,13)/p-1