3-[4-[bis(fluoranyl)methoxy]phenyl]-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[4-[bis(fluoranyl)methoxy]phenyl]-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-[4-(difluoromethoxy)phenyl]-2-(3-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-[4-(difluoromethoxy)phenyl]-2-(3-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 3-[4-(difluoromethoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-[4-(difluoromethoxy)phenyl]-2-(3-pyridylmethylthio)quinazolin-4-one Formula: C21H15F2N3O2S MolecularWeight: 411.424506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CN=CC=C3)C4=CC=C(C=C4)OC(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CN=CC=C3)C4=CC=C(C=C4)OC(F)F

InChI

InChI=1S/C21H15F2N3O2S/c22-20(23)28-16-9-7-15(8-10-16)26-19(27)17-5-1-2-6-18(17)25-21(26)29-13-14-4-3-11-24-12-14/h1-12,20H,13H2