2-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(4,5-dihydro-1H-imidazol-2-ylthio)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(2-imidazolin-2-ylthio)propyl]isoindoline-1,3-quinone Formula: C14H15N3O2S MolecularWeight: 289.3528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)SCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CN=C(N1)SCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H15N3O2S/c18-12-10-4-1-2-5-11(10)13(19)17(12)8-3-9-20-14-15-6-7-16-14/h1-2,4-5H,3,6-9H2,(H,15,16)