3-[2-[3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-propyl]sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-propyl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-(3-indolin-1-yl-3-oxo-propyl)sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[(3-indolin-1-yl-3-keto-propyl)thio]benzimidazol-1-yl]propionitrile Formula: C21H20N4OS MolecularWeight: 376.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CCSC3=NC4=CC=CC=C4N3CCC#N

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CCSC3=NC4=CC=CC=C4N3CCC#N

InChI

InChI=1S/C21H20N4OS/c22-12-5-13-25-19-9-4-2-7-17(19)23-21(25)27-15-11-20(26)24-14-10-16-6-1-3-8-18(16)24/h1-4,6-9H,5,10-11,13-15H2