2-[3-(1H-benzimidazol-2-ylsulfanyl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanyl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanyl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(1H-benzimidazol-2-ylthio)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanyl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(1H-benzimidazol-2-ylthio)propyl]isoindoline-1,3-quinone Formula: C18H15N3O2S MolecularWeight: 337.3956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H15N3O2S/c22-16-12-6-1-2-7-13(12)17(23)21(16)10-5-11-24-18-19-14-8-3-4-9-15(14)20-18/h1-4,6-9H,5,10-11H2,(H,19,20)