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

Systemtic Name: 2-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]isoindole-1,3-dione hydrobromide Openeye Name: 2-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]isoindoline-1,3-dione hydrobromide CAS Name: 2-[2-(4,5-dihydro-1H-imidazol-2-ylthio)ethyl]isoindole-1,3-dione hydrobromide IUPAC Name: 2-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]isoindole-1,3-dione hydrobromide Traditional Name: 2-[2-(2-imidazolin-2-ylthio)ethyl]isoindoline-1,3-quinone hydrobromide Formula: C13H14BrN3O2S MolecularWeight: 356.23816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)SCCN2C(=O)C3=CC=CC=C3C2=O.Br

Isomeric SMILES

C1CN=C(N1)SCCN2C(=O)C3=CC=CC=C3C2=O.Br

InChI

InChI=1S/C13H13N3O2S.BrH/c17-11-9-3-1-2-4-10(9)12(18)16(11)7-8-19-13-14-5-6-15-13;/h1-4H,5-8H2,(H,14,15);1H