ethyl 4-methyl-6-(4-methylphenyl)-5-oxidanylidene-1-phenyl-7-sulfanylidene-pyrimido[4,5-c]pyridazine-3-carboxylate

Systemtic Name: ethyl 4-methyl-6-(4-methylphenyl)-5-oxidanylidene-1-phenyl-7-sulfanylidene-pyrimido[4,5-c]pyridazine-3-carboxylate Openeye Name: ethyl 4-methyl-5-oxo-1-phenyl-6-(p-tolyl)-7-thioxo-pyrimido[4,5-c]pyridazine-3-carboxylate CAS Name: 4-methyl-6-(4-methylphenyl)-5-oxo-1-phenyl-7-sulfanylidene-3-pyrimido[4,5-c]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-(4-methylphenyl)-5-oxo-1-phenyl-7-sulfanylidenepyrimido[4,5-c]pyridazine-3-carboxylate Traditional Name: 5-keto-4-methyl-1-phenyl-6-(p-tolyl)-7-thioxo-pyrimido[4,5-c]pyridazine-3-carboxylic acid ethyl ester Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=NC(=S)N(C(=O)C2=C1C)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C2=NC(=S)N(C(=O)C2=C1C)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O3S/c1-4-30-22(29)19-15(3)18-20(27(25-19)17-8-6-5-7-9-17)24-23(31)26(21(18)28)16-12-10-14(2)11-13-16/h5-13H,4H2,1-3H3