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

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C9H14N4O3S MolecularWeight: 258.29746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CCC(=O)N)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1CCC(=O)N)SCC(=O)O

InChI

InChI=1S/C9H14N4O3S/c1-2-7-11-12-9(17-5-8(15)16)13(7)4-3-6(10)14/h2-5H2,1H3,(H2,10,14)(H,15,16)