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

Systemtic Name: 3-[[3-[(E)-(4-oxidanidyl-6-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Openeye Name: 3-[[3-[(E)-(4-oxido-6-oxo-1-phenyl-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate CAS Name: 3-[[3-[(E)-(4-oxido-6-oxo-1-phenyl-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]methyl]benzoate IUPAC Name: 3-[[3-[(E)-(4-oxido-6-oxo-1-phenyl-2-sulfanylidenepyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 3-[[3-[(E)-(6-keto-4-oxido-1-phenyl-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Formula: C25H16N2O5S-2 MolecularWeight: 456.46994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC=C3)OCC4=CC=CC(=C4)C(=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=CC=C3)OCC4=CC=CC(=C4)C(=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C25H18N2O5S/c28-22-21(23(29)27(25(33)26-22)19-9-2-1-3-10-19)14-16-6-5-11-20(13-16)32-15-17-7-4-8-18(12-17)24(30)31/h1-14H,15H2,(H,30,31)(H,26,28,33)/p-2/b21-14+