(5E)-1-(4-bromophenyl)-5-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-(4-bromophenyl)-5-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-(4-bromophenyl)-5-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(4-bromophenyl)-5-[[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(4-bromophenyl)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-(4-bromophenyl)-5-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C22H16BrN4O2S- MolecularWeight: 480.35704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=NC(=S)N(C3=O)C4=CC=C(C=C4)Br)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C/3\C(=NC(=S)N(C3=O)C4=CC=C(C=C4)Br)[O-]

InChI

InChI=1S/C22H17BrN4O2S/c1-13-10-15(14(2)26(13)18-4-3-9-24-12-18)11-19-20(28)25-22(30)27(21(19)29)17-7-5-16(23)6-8-17/h3-12H,1-2H3,(H,25,28,30)/p-1/b19-11+