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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(4-phenoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(4-phenoxyphenyl)quinazolin-4-one Formula: C29H21N3O6S MolecularWeight: 539.55854

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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)OC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)OC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C29H21N3O6S/c33-28-25-8-4-5-9-26(25)30-29(31(28)21-10-12-24(13-11-21)38-23-6-2-1-3-7-23)39-17-20-15-22(32(34)35)14-19-16-36-18-37-27(19)20/h1-15H,16-18H2