(5E)-1-(4-chlorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-(4-chlorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-(4-chlorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(4-chlorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(4-chlorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-(4-chlorophenyl)-6-keto-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-pyrimidin-4-olate Formula: C18H9ClN3O6S- MolecularWeight: 430.79856

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C3C(=NC(=S)N(C3=O)C4=CC=C(C=C4)Cl)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/3\C(=NC(=S)N(C3=O)C4=CC=C(C=C4)Cl)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H10ClN3O6S/c19-10-1-3-11(4-2-10)21-17(24)12(16(23)20-18(21)29)5-9-6-14-15(28-8-27-14)7-13(9)22(25)26/h1-7H,8H2,(H,20,23,29)/p-1/b12-5+