4-[6-(1-methylimidazol-2-yl)sulfanylhexyl]isoindole-1,3-dione

Systemtic Name: 4-[6-(1-methylimidazol-2-yl)sulfanylhexyl]isoindole-1,3-dione Openeye Name: 4-[6-(1-methylimidazol-2-yl)sulfanylhexyl]isoindoline-1,3-dione CAS Name: 4-[6-[(1-methyl-2-imidazolyl)thio]hexyl]isoindole-1,3-dione IUPAC Name: 4-[6-(1-methylimidazol-2-yl)sulfanylhexyl]isoindole-1,3-dione Traditional Name: 4-[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=C1SCCCCCCC2=CC=CC3=C2C(=O)NC3=O

Isomeric SMILES

CN1C=CN=C1SCCCCCCC2=CC=CC3=C2C(=O)NC3=O

InChI

InChI=1S/C18H21N3O2S/c1-21-11-10-19-18(21)24-12-5-3-2-4-7-13-8-6-9-14-15(13)17(23)20-16(14)22/h6,8-11H,2-5,7,12H2,1H3,(H,20,22,23)