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

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-fluorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-one Formula: C23H15ClFN3O5S MolecularWeight: 499.898703

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H15ClFN3O5S/c24-18-9-15(5-6-19(18)25)27-22(29)17-3-1-2-4-20(17)26-23(27)34-11-14-8-16(28(30)31)7-13-10-32-12-33-21(13)14/h1-9H,10-12H2