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

Systemtic Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-4-carboxylate Openeye Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-4-carboxylate CAS Name: 2-(1H-1,2,4-triazol-5-ylthio)-4-pyridinecarboxylate IUPAC Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-4-carboxylate Traditional Name: 2-(1H-1,2,4-triazol-5-ylthio)isonicotinate Formula: C8H5N4O2S- MolecularWeight: 221.2159

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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)/p-1