3-(1H-1,2,4-triazol-5-ylsulfanyl)butanoic acid

Systemtic Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)butanoic acid Openeye Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)butanoic acid CAS Name: 3-(1H-1,2,4-triazol-5-ylthio)butanoic acid IUPAC Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)butanoic acid Traditional Name: 3-(1H-1,2,4-triazol-5-ylthio)butyric acid Formula: C6H9N3O2S MolecularWeight: 187.21956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9N3O2S/c1-4(2-5(10)11)12-6-7-3-8-9-6/h3-4H,2H2,1H3,(H,10,11)(H,7,8,9)