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

Systemtic Name: (5E)-5-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-6-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylene]-6-oxo-1-phenyl-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-6-oxo-1-phenyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-6-oxo-1-phenyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-(4-allyloxy-3-bromo-5-methoxy-benzylidene)-6-keto-1-phenyl-2-thioxo-pyrimidin-4-olate Formula: C21H16BrN2O4S- MolecularWeight: 472.33174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=NC(=S)N(C2=O)C3=CC=CC=C3)[O-])Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/2\C(=NC(=S)N(C2=O)C3=CC=CC=C3)[O-])Br)OCC=C

InChI

InChI=1S/C21H17BrN2O4S/c1-3-9-28-18-16(22)11-13(12-17(18)27-2)10-15-19(25)23-21(29)24(20(15)26)14-7-5-4-6-8-14/h3-8,10-12H,1,9H2,2H3,(H,23,25,29)/p-1/b15-10+