2-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O3S/c1-13(2)24-20(27)16-9-5-6-10-17(16)22-21(24)28-12-11-23-18(25)14-7-3-4-8-15(14)19(23)26/h3-10,13H,11-12H2,1-2H3