methyl 4-[[5-[2-(3-methylsulfonylphenyl)phenyl]-6-oxidanylidene-pyridazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[5-[2-(3-methylsulfonylphenyl)phenyl]-6-oxidanylidene-pyridazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[5-[2-(3-methylsulfonylphenyl)phenyl]-6-oxo-pyridazin-1-yl]methyl]benzoate CAS Name: 4-[[5-[2-(3-methylsulfonylphenyl)phenyl]-6-oxo-1-pyridazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[2-(3-methylsulfonylphenyl)phenyl]-6-oxopyridazin-1-yl]methyl]benzoate Traditional Name: 4-[[6-keto-5-[2-(3-mesylphenyl)phenyl]pyridazin-1-yl]methyl]benzoic acid methyl ester Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)C(=CC=N2)C3=CC=CC=C3C4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)C(=CC=N2)C3=CC=CC=C3C4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C26H22N2O5S/c1-33-26(30)19-12-10-18(11-13-19)17-28-25(29)24(14-15-27-28)23-9-4-3-8-22(23)20-6-5-7-21(16-20)34(2,31)32/h3-16H,17H2,1-2H3