2-[2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18ClN3O3S/c1-2-9-25-20(28)16-8-7-13(22)12-17(16)23-21(25)29-11-10-24-18(26)14-5-3-4-6-15(14)19(24)27/h3-8,12H,2,9-11H2,1H3