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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-phenylquinazolin-4-one Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-phenyl-quinazolin-4-one Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N3O5S/c27-22-19-8-4-5-9-20(19)24-23(25(22)17-6-2-1-3-7-17)32-13-16-11-18(26(28)29)10-15-12-30-14-31-21(15)16/h1-11H,12-14H2