(5E)-5-[(3-bromanyl-4,5-diethoxy-phenyl)methylidene]-6-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[(3-bromanyl-4,5-diethoxy-phenyl)methylidene]-6-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[(3-bromo-4,5-diethoxy-phenyl)methylene]-6-oxo-1-phenyl-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-6-oxo-1-phenyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-6-oxo-1-phenyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-(3-bromo-4,5-diethoxy-benzylidene)-6-keto-1-phenyl-2-thioxo-pyrimidin-4-olate Formula: C21H18BrN2O4S- MolecularWeight: 474.34762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O4S/c1-3-27-17-12-13(11-16(22)18(17)28-4-2)10-15-19(25)23-21(29)24(20(15)26)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3,(H,23,25,29)/p-1/b15-10+