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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1C(=O)O)SC2=NC=NN2

Isomeric SMILES

C1=CN=C(C=C1C(=O)O)SC2=NC=NN2

InChI

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