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

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,4-difluorophenyl)-2-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(2,4-difluorophenyl)-2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(2,4-difluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,4-difluorophenyl)-2-[(2-keto-7-methoxy-chromen-4-yl)methylthio]quinazolin-4-one Formula: C25H16F2N2O4S MolecularWeight: 478.467346

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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=C(C=C(C=C5)F)F

Isomeric SMILES

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

InChI

InChI=1S/C25H16F2N2O4S/c1-32-16-7-8-17-14(10-23(30)33-22(17)12-16)13-34-25-28-20-5-3-2-4-18(20)24(31)29(25)21-9-6-15(26)11-19(21)27/h2-12H,13H2,1H3