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

Systemtic Name: 3-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionate Formula: C10H9N4O2S- MolecularWeight: 249.26906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=NC(=NN2)SCCC(=O)[O-]

Isomeric SMILES

C1=CN=CC=C1C2=NC(=NN2)SCCC(=O)[O-]

InChI

InChI=1S/C10H10N4O2S/c15-8(16)3-6-17-10-12-9(13-14-10)7-1-4-11-5-2-7/h1-2,4-5H,3,6H2,(H,15,16)(H,12,13,14)/p-1