(5E)-5-[(5-bromanyl-2-ethoxy-phenyl)methylidene]-1-(2,4-dimethylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[(5-bromanyl-2-ethoxy-phenyl)methylidene]-1-(2,4-dimethylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[(5-bromo-2-ethoxy-phenyl)methylene]-1-(2,4-dimethylphenyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-1-(2,4-dimethylphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-1-(2,4-dimethylphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-(5-bromo-2-ethoxy-benzylidene)-1-(2,4-dimethylphenyl)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C21H18BrN2O3S- MolecularWeight: 458.34822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=C2C(=NC(=S)N(C2=O)C3=C(C=C(C=C3)C)C)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C/2\C(=NC(=S)N(C2=O)C3=C(C=C(C=C3)C)C)[O-]

InChI

InChI=1S/C21H19BrN2O3S/c1-4-27-18-8-6-15(22)10-14(18)11-16-19(25)23-21(28)24(20(16)26)17-7-5-12(2)9-13(17)3/h5-11H,4H2,1-3H3,(H,23,25,28)/p-1/b16-11+