2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-one Formula: C24H19FN2O3S MolecularWeight: 434.482663

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)F

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)F

InChI

InChI=1S/C24H19FN2O3S/c25-19-10-17-13-29-15-30-22(17)18(11-19)14-31-24-26-21-9-5-4-8-20(21)23(28)27(24)12-16-6-2-1-3-7-16/h1-11H,12-15H2