3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: 3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]propionate Formula: C7H10N3O2S- MolecularWeight: 200.2382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCCC(=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SCCC(=O)[O-]

InChI

InChI=1S/C7H11N3O2S/c1-2-5-8-7(10-9-5)13-4-3-6(11)12/h2-4H2,1H3,(H,11,12)(H,8,9,10)/p-1