2-[(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C20H14ClN3O3S MolecularWeight: 411.86146

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H14ClN3O3S/c1-2-9-23-19(27)15-10-12(21)7-8-16(15)22-20(23)28-11-24-17(25)13-5-3-4-6-14(13)18(24)26/h2-8,10H,1,9,11H2