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

Systemtic Name: 2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCN2C(=O)C3=CC=CC=C3C2=O)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCN2C(=O)C3=CC=CC=C3C2=O)C4CCCC4)C

InChI

InChI=1S/C19H21N3O2S/c1-12-13(2)22(14-7-3-4-8-14)19(20-12)25-11-21-17(23)15-9-5-6-10-16(15)18(21)24/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3