2-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-2-oxidanylidene-4-sulfanylidene-quinazolin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-2-oxidanylidene-4-sulfanylidene-quinazolin-3-yl]ethanoic acid Openeye Name: 2-[1-[(4-bromo-2-fluoro-phenyl)methyl]-6-chloro-2-oxo-4-thioxo-quinazolin-3-yl]acetic acid CAS Name: 2-[1-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-2-oxo-4-sulfanylidene-3-quinazolinyl]acetic acid IUPAC Name: 2-[1-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-2-oxo-4-sulfanylidenequinazolin-3-yl]acetic acid Traditional Name: 2-[1-(4-bromo-2-fluoro-benzyl)-6-chloro-2-keto-4-thioxo-quinazolin-3-yl]acetic acid Formula: C17H11BrClFN2O3S MolecularWeight: 457.701243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=S)N(C(=O)N2CC3=C(C=C(C=C3)Br)F)CC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=S)N(C(=O)N2CC3=C(C=C(C=C3)Br)F)CC(=O)O

InChI

InChI=1S/C17H11BrClFN2O3S/c18-10-2-1-9(13(20)5-10)7-21-14-4-3-11(19)6-12(14)16(26)22(17(21)25)8-15(23)24/h1-6H,7-8H2,(H,23,24)