3-[5-[(E)-(4-oxidanidyl-6-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[(E)-(4-oxidanidyl-6-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(E)-(4-oxido-6-oxo-1-phenyl-2-thioxo-pyrimidin-5-ylidene)methyl]-2-furyl]benzoate CAS Name: 3-[5-[(E)-(4-oxido-6-oxo-1-phenyl-2-sulfanylidene-5-pyrimidinylidene)methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(E)-(4-oxido-6-oxo-1-phenyl-2-sulfanylidenepyrimidin-5-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(E)-(6-keto-4-oxido-1-phenyl-2-thioxo-pyrimidin-5-ylidene)methyl]-2-furyl]benzoate Formula: C22H12N2O5S-2 MolecularWeight: 416.40608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)C(=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C22H14N2O5S/c25-19-17(20(26)24(22(30)23-19)15-7-2-1-3-8-15)12-16-9-10-18(29-16)13-5-4-6-14(11-13)21(27)28/h1-12H,(H,27,28)(H,23,25,30)/p-2/b17-12+