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

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-fluoro-4-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-fluoro-4-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-one Formula: C24H18FN3O5S MolecularWeight: 479.480223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5)F

InChI

InChI=1S/C24H18FN3O5S/c1-14-6-7-17(10-20(14)25)27-23(29)19-4-2-3-5-21(19)26-24(27)34-12-16-9-18(28(30)31)8-15-11-32-13-33-22(15)16/h2-10H,11-13H2,1H3