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

Systemtic Name: 1-(4-bromophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole Openeye Name: 1-(4-bromophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole CAS Name: 1-(4-bromophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]imidazole IUPAC Name: 1-(4-bromophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole Traditional Name: 1-(4-bromophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]imidazole Formula: C18H14BrN3O4S MolecularWeight: 448.29046

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC=CN3C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC=CN3C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H14BrN3O4S/c19-14-1-3-15(4-2-14)21-6-5-20-18(21)27-10-13-8-16(22(23)24)7-12-9-25-11-26-17(12)13/h1-8H,9-11H2