2-[6-(1-methylimidazol-2-yl)sulfanylhexyl]isoindole-1,3-dione

Systemtic Name: 2-[6-(1-methylimidazol-2-yl)sulfanylhexyl]isoindole-1,3-dione Openeye Name: 2-[6-(1-methylimidazol-2-yl)sulfanylhexyl]isoindoline-1,3-dione CAS Name: 2-[6-[(1-methyl-2-imidazolyl)thio]hexyl]isoindole-1,3-dione IUPAC Name: 2-[6-(1-methylimidazol-2-yl)sulfanylhexyl]isoindole-1,3-dione Traditional Name: 2-[6-[(1-methylimidazol-2-yl)thio]hexyl]isoindoline-1,3-quinone Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CN1C=CN=C1SCCCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H21N3O2S/c1-20-12-10-19-18(20)24-13-7-3-2-6-11-21-16(22)14-8-4-5-9-15(14)17(21)23/h4-5,8-10,12H,2-3,6-7,11,13H2,1H3