3-[2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl]benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[4-(1,3-dioxo-2-isoindolyl)butylthio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[4-(1,3-dioxoisoindol-2-yl)butylsulfanyl]benzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-(4-phthalimidobutylthio)benzimidazol-1-yl]propionitrile Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC4=CC=CC=C4N3CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC4=CC=CC=C4N3CCC#N

InChI

InChI=1S/C22H20N4O2S/c23-12-7-14-25-19-11-4-3-10-18(19)24-22(25)29-15-6-5-13-26-20(27)16-8-1-2-9-17(16)21(26)28/h1-4,8-11H,5-7,13-15H2