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

Systemtic Name: 2-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]acetate Formula: C6H9N4O2S- MolecularWeight: 201.22626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1N)SCC(=O)[O-]

InChI

InChI=1S/C6H10N4O2S/c1-2-4-8-9-6(10(4)7)13-3-5(11)12/h2-3,7H2,1H3,(H,11,12)/p-1