3-[2-(2-pyridin-2-ylethylsulfanyl)benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-(2-pyridin-2-ylethylsulfanyl)benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[2-(2-pyridyl)ethylsulfanyl]benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[2-(2-pyridinyl)ethylthio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-(2-pyridin-2-ylethylsulfanyl)benzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[2-(2-pyridyl)ethylthio]benzimidazol-1-yl]propionitrile Formula: C17H16N4S MolecularWeight: 308.40074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCC#N)SCCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCC#N)SCCC3=CC=CC=N3

InChI

InChI=1S/C17H16N4S/c18-10-5-12-21-16-8-2-1-7-15(16)20-17(21)22-13-9-14-6-3-4-11-19-14/h1-4,6-8,11H,5,9,12-13H2