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

Systemtic Name: 2-[[4-(2-azanyl-2-oxidanylidene-ethyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-amino-2-oxo-ethyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-amino-2-oxoethyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-amino-2-oxoethyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-amino-2-keto-ethyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C8H12N4O3S MolecularWeight: 244.27088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC(=O)N)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1CC(=O)N)SCC(=O)O

InChI

InChI=1S/C8H12N4O3S/c1-2-6-10-11-8(16-4-7(14)15)12(6)3-5(9)13/h2-4H2,1H3,(H2,9,13)(H,14,15)