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

Systemtic Name: 3-(4-fluorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-one Formula: C23H16FN3O5S MolecularWeight: 465.453643

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C23H16FN3O5S/c24-16-5-7-17(8-6-16)26-22(28)19-3-1-2-4-20(19)25-23(26)33-12-15-10-18(27(29)30)9-14-11-31-13-32-21(14)15/h1-10H,11-13H2