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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C24H18FN3O5S/c25-18-7-5-15(6-8-18)11-27-23(29)20-3-1-2-4-21(20)26-24(27)34-13-17-10-19(28(30)31)9-16-12-32-14-33-22(16)17/h1-10H,11-14H2