4-[[2-(4-bromophenyl)-6-fluoranyl-quinazolin-4-yl]-sulfanyl-methyl]benzoic acid

Systemtic Name: 4-[[2-(4-bromophenyl)-6-fluoranyl-quinazolin-4-yl]-sulfanyl-methyl]benzoic acid Openeye Name: 4-[[2-(4-bromophenyl)-6-fluoro-quinazolin-4-yl]-sulfanyl-methyl]benzoic acid CAS Name: 4-[[2-(4-bromophenyl)-6-fluoro-4-quinazolinyl]-mercaptomethyl]benzoic acid IUPAC Name: 4-[[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]-sulfanylmethyl]benzoic acid Traditional Name: 4-[[2-(4-bromophenyl)-6-fluoro-quinazolin-4-yl]-mercapto-methyl]benzoic acid Formula: C22H14BrFN2O2S MolecularWeight: 469.326163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)F)C(=N2)C(C4=CC=C(C=C4)C(=O)O)S)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)F)C(=N2)C(C4=CC=C(C=C4)C(=O)O)S)Br

InChI

InChI=1S/C22H14BrFN2O2S/c23-15-7-5-13(6-8-15)21-25-18-10-9-16(24)11-17(18)19(26-21)20(29)12-1-3-14(4-2-12)22(27)28/h1-11,20,29H,(H,27,28)