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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(4-nitrophenyl)quinazolin-4-one Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(4-nitrophenyl)quinazolin-4-one CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(4-nitrophenyl)-4-quinazolinone IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(4-nitrophenyl)quinazolin-4-one Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(4-nitrophenyl)quinazolin-4-one Formula: C23H16N4O7S MolecularWeight: 492.46074

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16N4O7S/c28-22-19-3-1-2-4-20(19)24-23(25(22)16-5-7-17(8-6-16)26(29)30)35-12-15-10-18(27(31)32)9-14-11-33-13-34-21(14)15/h1-10H,11-13H2