N-[3,4-bis(fluoranyl)phenyl]-2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3,4-difluorophenyl)acetamide CAS Name: 2-[[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3,4-difluorophenyl)acetamide IUPAC Name: 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-difluorophenyl)acetamide Traditional Name: 2-[[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]thio]-N-(3,4-difluorophenyl)acetamide Formula: C22H14BrF2N3O2S MolecularWeight: 502.331266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H14BrF2N3O2S/c23-13-5-8-15(9-6-13)28-21(30)16-3-1-2-4-19(16)27-22(28)31-12-20(29)26-14-7-10-17(24)18(25)11-14/h1-11H,12H2,(H,26,29)