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

Systemtic Name: 1-cyclopropyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-imidazole Openeye Name: 1-cyclopropyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-imidazole CAS Name: 1-cyclopropyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenylimidazole IUPAC Name: 1-cyclopropyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenylimidazole Traditional Name: 1-cyclopropyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-imidazole Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=CN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=CN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CC=C5

InChI

InChI=1S/C21H19N3O4S/c25-24(26)18-8-15-11-27-13-28-20(15)16(9-18)12-29-21-22-10-19(23(21)17-6-7-17)14-4-2-1-3-5-14/h1-5,8-10,17H,6-7,11-13H2