4,5-bis(4-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-imidazole

Systemtic Name: 4,5-bis(4-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-imidazole Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-bis(p-tolyl)-1H-imidazole CAS Name: 4,5-bis(4-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-imidazole IUPAC Name: 4,5-bis(4-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-imidazole Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4,5-bis(p-tolyl)-1H-imidazole Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H23N3O4S/c1-16-3-7-18(8-4-16)23-24(19-9-5-17(2)6-10-19)28-26(27-23)34-14-21-12-22(29(30)31)11-20-13-32-15-33-25(20)21/h3-12H,13-15H2,1-2H3,(H,27,28)