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

Systemtic Name: 6-methyl-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]pyridine-3-carbonitrile Openeye Name: 6-methyl-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-methyl-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-6-methyl-nicotinonitrile Formula: C17H16N4OS MolecularWeight: 324.40014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C17H16N4OS/c1-12-7-8-13(11-18)16(19-12)23-10-4-9-21-15-6-3-2-5-14(15)20-17(21)22/h2-3,5-8H,4,9-10H2,1H3,(H,20,22)