2-[2-(pyridin-3-ylmethylsulfanyl)pyridin-3-yl]-1H-benzimidazole

Systemtic Name: 2-[2-(pyridin-3-ylmethylsulfanyl)pyridin-3-yl]-1H-benzimidazole Openeye Name: 2-[2-(3-pyridylmethylsulfanyl)-3-pyridyl]-1H-benzimidazole CAS Name: 2-[2-(3-pyridinylmethylthio)-3-pyridinyl]-1H-benzimidazole IUPAC Name: 2-[2-(pyridin-3-ylmethylsulfanyl)pyridin-3-yl]-1H-benzimidazole Traditional Name: 2-[2-(3-pyridylmethylthio)-3-pyridyl]-1H-benzimidazole Formula: C18H14N4S MolecularWeight: 318.39556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=C(N=CC=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=C(N=CC=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C18H14N4S/c1-2-8-16-15(7-1)21-17(22-16)14-6-4-10-20-18(14)23-12-13-5-3-9-19-11-13/h1-11H,12H2,(H,21,22)