S-(1H-benzimidazol-2-yl) pyridine-4-carbothioate

Systemtic Name: S-(1H-benzimidazol-2-yl) pyridine-4-carbothioate Openeye Name: S-(1H-benzimidazol-2-yl) pyridine-4-carbothioate CAS Name: 4-pyridinecarbothioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) pyridine-4-carbothioate Traditional Name: pyridine-4-carbothioic acid S-(1H-benzimidazol-2-yl) ester Formula: C13H9N3OS MolecularWeight: 255.29506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(=O)C3=CC=NC=C3

InChI

InChI=1S/C13H9N3OS/c17-12(9-5-7-14-8-6-9)18-13-15-10-3-1-2-4-11(10)16-13/h1-8H,(H,15,16)