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

Systemtic Name: 2-[5-[(E)-[1-(4-bromanyl-2-methyl-phenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]furan-2-yl]benzoate Openeye Name: 2-[5-[(E)-[1-(4-bromo-2-methyl-phenyl)-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene]methyl]-2-furyl]benzoate CAS Name: 2-[5-[(E)-[1-(4-bromo-2-methylphenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]-2-furanyl]benzoate IUPAC Name: 2-[5-[(E)-[1-(4-bromo-2-methylphenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]furan-2-yl]benzoate Traditional Name: 2-[5-[(E)-[1-(4-bromo-2-methyl-phenyl)-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene]methyl]-2-furyl]benzoate Formula: C23H13BrN2O5S-2 MolecularWeight: 509.32872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4C(=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4C(=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C23H15BrN2O5S/c1-12-10-13(24)6-8-18(12)26-21(28)17(20(27)25-23(26)32)11-14-7-9-19(31-14)15-4-2-3-5-16(15)22(29)30/h2-11H,1H3,(H,29,30)(H,25,27,32)/p-2/b17-11+