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

Systemtic Name: 4-[2-[(E)-[1-(3-bromophenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate Openeye Name: 4-[2-[(E)-[1-(3-bromophenyl)-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate CAS Name: 4-[2-[(E)-[1-(3-bromophenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]-1-pyrrolyl]benzoate IUPAC Name: 4-[2-[(E)-[1-(3-bromophenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2-[(E)-[1-(3-bromophenyl)-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate Formula: C22H12BrN3O4S-2 MolecularWeight: 494.31738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)N2C(=O)/C(=C/C3=CC=CN3C4=CC=C(C=C4)C(=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C22H14BrN3O4S/c23-14-3-1-4-17(11-14)26-20(28)18(19(27)24-22(26)31)12-16-5-2-10-25(16)15-8-6-13(7-9-15)21(29)30/h1-12H,(H,29,30)(H,24,27,31)/p-2/b18-12+