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

Systemtic Name: 6-bromanyl-3-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 6-bromo-3-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 6-bromo-3-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinone IUPAC Name: 6-bromo-3-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 6-bromo-3-ethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-one Formula: C19H16BrN3O5S MolecularWeight: 478.31644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H16BrN3O5S/c1-2-22-18(24)15-7-13(20)3-4-16(15)21-19(22)29-9-12-6-14(23(25)26)5-11-8-27-10-28-17(11)12/h3-7H,2,8-10H2,1H3