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

Systemtic Name: 5-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoate Openeye Name: 5-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoate CAS Name: 5-(1H-1,2,4-triazol-5-ylthio)pentanoate IUPAC Name: 5-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoate Traditional Name: 5-(1H-1,2,4-triazol-5-ylthio)valerate Formula: C7H10N3O2S- MolecularWeight: 200.2382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11N3O2S/c11-6(12)3-1-2-4-13-7-8-5-9-10-7/h5H,1-4H2,(H,11,12)(H,8,9,10)/p-1