(5E)-5-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylidene]-1-(3-chlorophenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylidene]-1-(3-chlorophenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methylene]-1-(3-chlorophenyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-1-(3-chlorophenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-1-(3-chlorophenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-(3-bromo-5-ethoxy-4-methoxy-benzylidene)-1-(3-chlorophenyl)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C20H15BrClN2O4S- MolecularWeight: 494.7661

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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)Cl)[O-])Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrClN2O4S/c1-3-28-16-9-11(8-15(21)17(16)27-2)7-14-18(25)23-20(29)24(19(14)26)13-6-4-5-12(22)10-13/h4-10H,3H2,1-2H3,(H,23,25,29)/p-1/b14-7+