4-[[3-[[6-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)pyridin-3-yl]methyl]-2-sulfanylidene-1H-imidazol-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[[6-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)pyridin-3-yl]methyl]-2-sulfanylidene-1H-imidazol-4-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[[6-(5-chloro-2-oxo-1-pyridyl)-3-pyridyl]methyl]-2-thioxo-1H-imidazol-4-yl]methyl]benzonitrile CAS Name: 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-2-sulfanylidene-1H-imidazol-4-yl]methyl]benzonitrile IUPAC Name: 4-[[3-[[6-(5-chloro-2-oxopyridin-1-yl)pyridin-3-yl]methyl]-2-sulfanylidene-1H-imidazol-4-yl]methyl]benzonitrile Traditional Name: 4-[[3-[[6-(5-chloro-2-keto-1-pyridyl)-3-pyridyl]methyl]-2-thioxo-4-imidazolin-4-yl]methyl]benzonitrile Formula: C22H16ClN5OS MolecularWeight: 433.91334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CNC(=S)N2CC3=CN=C(C=C3)N4C=C(C=CC4=O)Cl)C#N

Isomeric SMILES

C1=CC(=CC=C1CC2=CNC(=S)N2CC3=CN=C(C=C3)N4C=C(C=CC4=O)Cl)C#N

InChI

InChI=1S/C22H16ClN5OS/c23-18-6-8-21(29)28(14-18)20-7-5-17(11-25-20)13-27-19(12-26-22(27)30)9-15-1-3-16(10-24)4-2-15/h1-8,11-12,14H,9,13H2,(H,26,30)