2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(methoxymethyl)-4-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(methoxymethyl)-4-methyl-pyridine-3-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(methoxymethyl)-4-methyl-pyridine-3-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-(methoxymethyl)-4-methyl-3-pyridinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(methoxymethyl)-4-methylpyridine-3-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-(methoxymethyl)-4-methyl-nicotinonitrile Formula: C17H16N4OS MolecularWeight: 324.40014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=NC3=CC=CC=C3N2)COC

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=NC3=CC=CC=C3N2)COC

InChI

InChI=1S/C17H16N4OS/c1-11-7-12(9-22-2)19-17(13(11)8-18)23-10-16-20-14-5-3-4-6-15(14)21-16/h3-7H,9-10H2,1-2H3,(H,20,21)