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

Systemtic Name: 4-[[2-(4-bromophenyl)-6-fluoranyl-quinazolin-4-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-(4-bromophenyl)-6-fluoro-quinazolin-4-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-(4-bromophenyl)-6-fluoro-4-quinazolinyl]thio]methyl]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]thio]methyl]benzoic acid Formula: C22H14BrFN2O2S MolecularWeight: 469.326163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C22H14BrFN2O2S/c23-16-7-5-14(6-8-16)20-25-19-10-9-17(24)11-18(19)21(26-20)29-12-13-1-3-15(4-2-13)22(27)28/h1-11H,12H2,(H,27,28)