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

Systemtic Name: 4-[[4-bromanyl-2-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Openeye Name: 4-[[4-bromo-2-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-bromo-2-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[4-bromo-2-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-bromo-2-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Formula: C19H11BrN2O5S-2 MolecularWeight: 459.27004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=S)N=C3[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)/C=C\3/C(=O)NC(=S)N=C3[O-])C(=O)[O-]

InChI

InChI=1S/C19H13BrN2O5S/c20-13-5-6-15(27-9-10-1-3-11(4-2-10)18(25)26)12(7-13)8-14-16(23)21-19(28)22-17(14)24/h1-8H,9H2,(H,25,26)(H2,21,22,23,24,28)/p-2