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

Systemtic Name: 3-[2-[(E)-[1-(2-methylphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate Openeye Name: 3-[2-[(E)-[1-(o-tolyl)-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate CAS Name: 3-[2-[(E)-[1-(2-methylphenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]-1-pyrrolyl]benzoate IUPAC Name: 3-[2-[(E)-[1-(2-methylphenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate Traditional Name: 3-[2-[(E)-[6-keto-1-(o-tolyl)-4-oxido-2-thioxo-pyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate Formula: C23H15N3O4S-2 MolecularWeight: 429.4479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C23H17N3O4S/c1-14-6-2-3-10-19(14)26-21(28)18(20(27)24-23(26)31)13-17-9-5-11-25(17)16-8-4-7-15(12-16)22(29)30/h2-13H,1H3,(H,29,30)(H,24,27,31)/p-2/b18-13+