(5E)-1-(4-bromophenyl)-6-oxidanylidene-5-[(4-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-(4-bromophenyl)-6-oxidanylidene-5-[(4-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-(4-bromophenyl)-5-[(4-isopropoxyphenyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(4-bromophenyl)-6-oxo-5-[(4-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(4-bromophenyl)-6-oxo-5-[(4-propan-2-yloxyphenyl)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-(4-bromophenyl)-5-(4-isopropoxybenzylidene)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C20H16BrN2O3S- MolecularWeight: 444.32164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O3S/c1-12(2)26-16-9-3-13(4-10-16)11-17-18(24)22-20(27)23(19(17)25)15-7-5-14(21)6-8-15/h3-12H,1-2H3,(H,22,24,27)/p-1/b17-11+