4-(1H-1,2,4-triazol-5-ylsulfanyl)butanoate

Systemtic Name: 4-(1H-1,2,4-triazol-5-ylsulfanyl)butanoate Openeye Name: 4-(1H-1,2,4-triazol-5-ylsulfanyl)butanoate CAS Name: 4-(1H-1,2,4-triazol-5-ylthio)butanoate IUPAC Name: 4-(1H-1,2,4-triazol-5-ylsulfanyl)butanoate Traditional Name: 4-(1H-1,2,4-triazol-5-ylthio)butyrate Formula: C6H8N3O2S- MolecularWeight: 186.21162

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=N1)SCCCC(=O)[O-]

Isomeric SMILES

C1=NNC(=N1)SCCCC(=O)[O-]

InChI

InChI=1S/C6H9N3O2S/c10-5(11)2-1-3-12-6-7-4-8-9-6/h4H,1-3H2,(H,10,11)(H,7,8,9)/p-1