3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-phenyl-1H-imidazole-2-thione

Systemtic Name: 3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-phenyl-1H-imidazole-2-thione Openeye Name: 3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-5-phenyl-1H-imidazole-2-thione CAS Name: 3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-phenyl-1H-imidazole-2-thione IUPAC Name: 3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-phenyl-1H-imidazole-2-thione Traditional Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-phenyl-4-imidazoline-2-thione Formula: C17H12N4O4S MolecularWeight: 368.36658

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NN3C=C(NC3=S)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/N3C=C(NC3=S)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O4S/c22-21(23)14-7-16-15(24-10-25-16)6-12(14)8-18-20-9-13(19-17(20)26)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,26)/b18-8+