2-(1H-benzimidazol-2-ylsulfanyl)pyridine-4-carboxylate

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)pyridine-4-carboxylate Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)pyridine-4-carboxylate CAS Name: 2-(1H-benzimidazol-2-ylthio)-4-pyridinecarboxylate IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)pyridine-4-carboxylate Traditional Name: 2-(1H-benzimidazol-2-ylthio)isonicotinate Formula: C13H8N3O2S- MolecularWeight: 270.28652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=NC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=NC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C13H9N3O2S/c17-12(18)8-5-6-14-11(7-8)19-13-15-9-3-1-2-4-10(9)16-13/h1-7H,(H,15,16)(H,17,18)/p-1