4-[5-[(E)-[1-(4-bromophenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]furan-2-yl]benzoate

Systemtic Name: 4-[5-[(E)-[1-(4-bromophenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(E)-[1-(4-bromophenyl)-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene]methyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-[1-(4-bromophenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(E)-[1-(4-bromophenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-[1-(4-bromophenyl)-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene]methyl]-2-furyl]benzoate Formula: C22H11BrN2O5S-2 MolecularWeight: 495.30214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=NC(=S)N(C3=O)C4=CC=C(C=C4)Br)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)/C=C/3\C(=NC(=S)N(C3=O)C4=CC=C(C=C4)Br)[O-])C(=O)[O-]

InChI

InChI=1S/C22H13BrN2O5S/c23-14-5-7-15(8-6-14)25-20(27)17(19(26)24-22(25)31)11-16-9-10-18(30-16)12-1-3-13(4-2-12)21(28)29/h1-11H,(H,28,29)(H,24,26,31)/p-2/b17-11+