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

Systemtic Name: 1-(2,4-dimethylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole Openeye Name: 1-(2,4-dimethylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole CAS Name: 1-(2,4-dimethylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]imidazole IUPAC Name: 1-(2,4-dimethylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole Traditional Name: 1-(2,4-dimethylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]imidazole Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

InChI

InChI=1S/C20H19N3O4S/c1-13-3-4-18(14(2)7-13)22-6-5-21-20(22)28-11-16-9-17(23(24)25)8-15-10-26-12-27-19(15)16/h3-9H,10-12H2,1-2H3