3-(4-fluorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(phenylmethylidene)imidazol-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(phenylmethylidene)imidazol-4-one Openeye Name: 5-benzylidene-3-(4-fluorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazol-4-one CAS Name: 3-(4-fluorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(phenylmethylene)-4-imidazolone IUPAC Name: 5-benzylidene-3-(4-fluorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazol-4-one Traditional Name: 5-benzal-3-(4-fluorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-2-imidazolin-4-one Formula: C25H18FN3O5S MolecularWeight: 491.490923

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=CC4=CC=CC=C4)C(=O)N3C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=CC4=CC=CC=C4)C(=O)N3C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C25H18FN3O5S/c26-19-6-8-20(9-7-19)28-24(30)22(10-16-4-2-1-3-5-16)27-25(28)35-14-18-12-21(29(31)32)11-17-13-33-15-34-23(17)18/h1-12H,13-15H2