2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid

Systemtic Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid Openeye Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid CAS Name: 2-(1H-1,2,4-triazol-5-ylthio)propanoic acid IUPAC Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid Traditional Name: 2-(1H-1,2,4-triazol-5-ylthio)propionic acid Formula: C5H7N3O2S MolecularWeight: 173.19298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC=NN1

Isomeric SMILES

CC(C(=O)O)SC1=NC=NN1

InChI

InChI=1S/C5H7N3O2S/c1-3(4(9)10)11-5-6-2-7-8-5/h2-3H,1H3,(H,9,10)(H,6,7,8)