2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(1H-1,2,4-triazol-5-ylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(1H-1,2,4-triazol-5-ylthio)nicotinic acid Formula: C8H6N4O2S MolecularWeight: 222.22384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=NC=NN2)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SC2=NC=NN2)C(=O)O

InChI

InChI=1S/C8H6N4O2S/c13-7(14)5-2-1-3-9-6(5)15-8-10-4-11-12-8/h1-4H,(H,13,14)(H,10,11,12)