(5E)-3-(2-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-imidazolidin-4-one

Systemtic Name: (5E)-3-(2-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-imidazolidin-4-one Openeye Name: (5E)-3-(2-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-imidazolidin-4-one CAS Name: (5E)-3-(2-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-4-imidazolidinone IUPAC Name: (5E)-3-(2-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one Traditional Name: (5E)-3-(2-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-imidazolidinone Formula: C18H13N3O6S MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)NC2=S

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)/C(=C\C3=CC4=C(C=C3[N+](=O)[O-])OCO4)/NC2=S

InChI

InChI=1S/C18H13N3O6S/c1-25-14-5-3-2-4-12(14)20-17(22)11(19-18(20)28)6-10-7-15-16(27-9-26-15)8-13(10)21(23)24/h2-8H,9H2,1H3,(H,19,28)/b11-6+