(5E)-1-(4-bromophenyl)-5-[(3-methoxy-4-propan-2-yloxy-phenyl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-(4-bromophenyl)-5-[(3-methoxy-4-propan-2-yloxy-phenyl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-(4-bromophenyl)-5-[(4-isopropoxy-3-methoxy-phenyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(4-bromophenyl)-5-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(4-bromophenyl)-5-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-(4-bromophenyl)-5-(4-isopropoxy-3-methoxy-benzylidene)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C21H18BrN2O4S- MolecularWeight: 474.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=C2C(=NC(=S)N(C2=O)C3=CC=C(C=C3)Br)[O-])OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/2\C(=NC(=S)N(C2=O)C3=CC=C(C=C3)Br)[O-])OC

InChI

InChI=1S/C21H19BrN2O4S/c1-12(2)28-17-9-4-13(11-18(17)27-3)10-16-19(25)23-21(29)24(20(16)26)15-7-5-14(22)6-8-15/h4-12H,1-3H3,(H,23,25,29)/p-1/b16-10+