2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-6-pyridin-3-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-6-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-6-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-6-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-6-(3-pyridyl)nicotinonitrile Formula: C21H17N5OS MolecularWeight: 387.45758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=C(C=CC(=N3)C4=CN=CC=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=C(C=CC(=N3)C4=CN=CC=C4)C#N

InChI

InChI=1S/C21H17N5OS/c22-13-15-8-9-17(16-5-3-10-23-14-16)24-20(15)28-12-4-11-26-19-7-2-1-6-18(19)25-21(26)27/h1-3,5-10,14H,4,11-12H2,(H,25,27)