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

Systemtic Name: 3-[5-[(Z)-[1-(4-butylphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(Z)-[1-(4-butylphenyl)-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene]methyl]-2-furyl]benzoate CAS Name: 3-[5-[(Z)-[1-(4-butylphenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(Z)-[1-(4-butylphenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(Z)-[1-(4-butylphenyl)-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene]methyl]-2-furyl]benzoate Formula: C26H20N2O5S-2 MolecularWeight: 472.5124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

CCCCC1=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/C26H22N2O5S/c1-2-3-5-16-8-10-19(11-9-16)28-24(30)21(23(29)27-26(28)34)15-20-12-13-22(33-20)17-6-4-7-18(14-17)25(31)32/h4,6-15H,2-3,5H2,1H3,(H,31,32)(H,27,29,34)/p-2/b21-15-