2-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCCN2C(=O)C3=CC=CC=C3C2=O)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCCN2C(=O)C3=CC=CC=C3C2=O)C4CCCC4)C

InChI

InChI=1S/C20H23N3O2S/c1-13-14(2)23(15-7-3-4-8-15)20(21-13)26-12-11-22-18(24)16-9-5-6-10-17(16)19(22)25/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3