3-(3-chloranyl-4-fluoranyl-phenyl)-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(2-keto-7-methoxy-chromen-4-yl)methylthio]quinazolin-4-one Formula: C25H16ClFN2O4S MolecularWeight: 494.921943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)F)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C25H16ClFN2O4S/c1-32-16-7-8-17-14(10-23(30)33-22(17)12-16)13-34-25-28-21-5-3-2-4-18(21)24(31)29(25)15-6-9-20(27)19(26)11-15/h2-12H,13H2,1H3