2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-imidazol-1-amine

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-imidazol-1-amine Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-imidazol-1-amine CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-1-imidazolamine IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenylimidazol-1-amine Traditional Name: [2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-imidazol-1-yl]amine Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=CN3N)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=CN3N)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c19-21-8-16(12-4-2-1-3-5-12)20-18(21)27-10-14-7-15(22(23)24)6-13-9-25-11-26-17(13)14/h1-8H,9-11,19H2