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

Systemtic Name: 2-chloranyl-4-[2,5-dimethyl-3-[(E)-(4-oxidanidyl-6-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: 2-chloro-4-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-1-phenyl-2-thioxo-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate CAS Name: 2-chloro-4-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-1-phenyl-2-sulfanylidene-5-pyrimidinylidene)methyl]-1-pyrrolyl]benzoate IUPAC Name: 2-chloro-4-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-1-phenyl-2-sulfanylidenepyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 2-chloro-4-[3-[(E)-(6-keto-4-oxido-1-phenyl-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C24H16ClN3O4S-2 MolecularWeight: 477.91954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)C(=O)[O-])Cl)C)C=C3C(=NC(=S)N(C3=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)C(=O)[O-])Cl)C)/C=C/3\C(=NC(=S)N(C3=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C24H18ClN3O4S/c1-13-10-15(14(2)27(13)17-8-9-18(23(31)32)20(25)12-17)11-19-21(29)26-24(33)28(22(19)30)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,31,32)(H,26,29,33)/p-2/b19-11+