2-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-5-ethyl-2-oxidanylidene-4-sulfanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: 2-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-5-ethyl-2-oxidanylidene-4-sulfanylidene-quinazolin-3-yl]ethanoate Openeye Name: 2-[1-[(4-bromo-2-fluoro-phenyl)methyl]-6-chloro-5-ethyl-2-oxo-4-thioxo-quinazolin-3-yl]acetate CAS Name: 2-[1-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethyl-2-oxo-4-sulfanylidene-3-quinazolinyl]acetate IUPAC Name: 2-[1-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethyl-2-oxo-4-sulfanylidenequinazolin-3-yl]acetate Traditional Name: 2-[1-(4-bromo-2-fluoro-benzyl)-6-chloro-5-ethyl-2-keto-4-thioxo-quinazolin-3-yl]acetate Formula: C19H14BrClFN2O3S- MolecularWeight: 484.746463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1C(=S)N(C(=O)N2CC3=C(C=C(C=C3)Br)F)CC(=O)[O-])Cl

Isomeric SMILES

CCC1=C(C=CC2=C1C(=S)N(C(=O)N2CC3=C(C=C(C=C3)Br)F)CC(=O)[O-])Cl

InChI

InChI=1S/C19H15BrClFN2O3S/c1-2-12-13(21)5-6-15-17(12)18(28)24(9-16(25)26)19(27)23(15)8-10-3-4-11(20)7-14(10)22/h3-7H,2,8-9H2,1H3,(H,25,26)/p-1