6-methyl-2-(4-morpholin-4-ylbut-2-ynyl)-4-sulfanyl-isoindole-1,3-dione

Systemtic Name: 6-methyl-2-(4-morpholin-4-ylbut-2-ynyl)-4-sulfanyl-isoindole-1,3-dione Openeye Name: 6-methyl-2-(4-morpholinobut-2-ynyl)-4-sulfanyl-isoindoline-1,3-dione CAS Name: 4-mercapto-6-methyl-2-[4-(4-morpholinyl)but-2-ynyl]isoindole-1,3-dione IUPAC Name: 6-methyl-2-(4-morpholin-4-ylbut-2-ynyl)-4-sulfanylisoindole-1,3-dione Traditional Name: 4-mercapto-6-methyl-2-(4-morpholinobut-2-ynyl)isoindoline-1,3-quinone Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)N(C2=O)CC#CCN3CCOCC3)S

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)N(C2=O)CC#CCN3CCOCC3)S

InChI

InChI=1S/C17H18N2O3S/c1-12-10-13-15(14(23)11-12)17(21)19(16(13)20)5-3-2-4-18-6-8-22-9-7-18/h10-11,23H,4-9H2,1H3