2-[3-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]propyl]isoindoline-1,3-quinone Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18BrN3O3S/c1-2-24-20(28)16-12-13(22)8-9-17(16)23-21(24)29-11-5-10-25-18(26)14-6-3-4-7-15(14)19(25)27/h3-4,6-9,12H,2,5,10-11H2,1H3