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

Systemtic Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=NC(=NN2)SCC(=O)O

Isomeric SMILES

C1=CN=CC=C1C2=NC(=NN2)SCC(=O)O

InChI

InChI=1S/C9H8N4O2S/c14-7(15)5-16-9-11-8(12-13-9)6-1-3-10-4-2-6/h1-4H,5H2,(H,14,15)(H,11,12,13)