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

Systemtic Name: 2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]pyridine-3-carbonitrile CAS Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-3-pyridinecarbonitrile IUPAC Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]nicotinonitrile Formula: C16H14N4OS MolecularWeight: 310.37356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4OS/c17-11-12-5-3-8-18-15(12)22-10-4-9-20-14-7-2-1-6-13(14)19-16(20)21/h1-3,5-8H,4,9-10H2,(H,19,21)