2-[2-(4-bromophenyl)-6-fluoranyl-quinazolin-4-yl]sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[2-(4-bromophenyl)-6-fluoranyl-quinazolin-4-yl]sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[2-(4-bromophenyl)-6-fluoro-quinazolin-4-yl]sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[2-(4-bromophenyl)-6-fluoro-4-quinazolinyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[2-(4-bromophenyl)-6-fluoro-quinazolin-4-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C22H14BrFN4O3S MolecularWeight: 513.338963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)F)C(=N2)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)F)C(=N2)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C22H14BrFN4O3S/c23-14-3-1-13(2-4-14)21-26-19-10-5-15(24)11-18(19)22(27-21)32-12-20(29)25-16-6-8-17(9-7-16)28(30)31/h1-11H,12H2,(H,25,29)