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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC(=O)N)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1CC(=O)N)SCC(=O)O

InChI

InChI=1S/C9H14N4O3S/c1-5(2)8-11-12-9(17-4-7(15)16)13(8)3-6(10)14/h5H,3-4H2,1-2H3,(H2,10,14)(H,15,16)