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

Systemtic Name: 2-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H16ClN3O3S/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/h2-8,12H,1,9-11H2