(5Z)-1-(3-bromophenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-1-(3-bromophenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-(3-bromophenyl)-5-[[5-(3-nitrophenyl)-2-furyl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-(3-bromophenyl)-5-[[5-(3-nitrophenyl)-2-furanyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-1-(3-bromophenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-(3-bromophenyl)-6-keto-5-[[5-(3-nitrophenyl)-2-furyl]methylene]-2-thioxo-pyrimidin-4-olate Formula: C21H11BrN3O5S- MolecularWeight: 497.29814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=NC(=S)N(C3=O)C4=CC(=CC=C4)Br)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=NC(=S)N(C3=O)C4=CC(=CC=C4)Br)[O-]

InChI

InChI=1S/C21H12BrN3O5S/c22-13-4-2-5-14(10-13)24-20(27)17(19(26)23-21(24)31)11-16-7-8-18(30-16)12-3-1-6-15(9-12)25(28)29/h1-11H,(H,23,26,31)/p-1/b17-11-