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

Systemtic Name: (5E)-5-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-1-(4-chlorophenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylene]-1-(4-chlorophenyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-(4-chlorophenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-(4-chlorophenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-(4-allyloxy-3-bromo-5-methoxy-benzylidene)-1-(4-chlorophenyl)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C21H15BrClN2O4S- MolecularWeight: 506.7768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrClN2O4S/c1-3-8-29-18-16(22)10-12(11-17(18)28-2)9-15-19(26)24-21(30)25(20(15)27)14-6-4-13(23)5-7-14/h3-7,9-11H,1,8H2,2H3,(H,24,26,30)/p-1/b15-9+