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

Systemtic Name: 1-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-imidazole Openeye Name: 1-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-imidazole CAS Name: 1-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenylimidazole IUPAC Name: 1-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenylimidazole Traditional Name: 1-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-imidazole Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4

InChI

InChI=1S/C19H17N3O4S/c1-21-17(13-5-3-2-4-6-13)9-20-19(21)27-11-15-8-16(22(23)24)7-14-10-25-12-26-18(14)15/h2-9H,10-12H2,1H3