2-[[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C23H13ClFN3O3S MolecularWeight: 465.884023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C23H13ClFN3O3S/c24-17-11-13(9-10-18(17)25)28-22(31)16-7-3-4-8-19(16)26-23(28)32-12-27-20(29)14-5-1-2-6-15(14)21(27)30/h1-11H,12H2