(5E)-5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-1-(4-ethoxyphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-1-(4-ethoxyphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[1-(4-bromophenyl)pyrrol-2-yl]methylene]-1-(4-ethoxyphenyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[1-(4-bromophenyl)-2-pyrrolyl]methylidene]-1-(4-ethoxyphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-1-(4-ethoxyphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-[[1-(4-bromophenyl)pyrrol-2-yl]methylene]-6-keto-1-p-phenetyl-2-thioxo-pyrimidin-4-olate Formula: C23H17BrN3O3S- MolecularWeight: 495.36838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)Br)C(=NC2=S)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CN3C4=CC=C(C=C4)Br)/C(=NC2=S)[O-]

InChI

InChI=1S/C23H18BrN3O3S/c1-2-30-19-11-9-17(10-12-19)27-22(29)20(21(28)25-23(27)31)14-18-4-3-13-26(18)16-7-5-15(24)6-8-16/h3-14H,2H2,1H3,(H,25,28,31)/p-1/b20-14+