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

Systemtic Name: methyl 2-[4-(3-methylsulfonylphenyl)-6-oxidanylidene-5-phenyl-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(3-methylsulfonylphenyl)-6-oxo-5-phenyl-pyridazin-1-yl]acetate CAS Name: 2-[4-(3-methylsulfonylphenyl)-6-oxo-5-phenyl-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-methylsulfonylphenyl)-6-oxo-5-phenylpyridazin-1-yl]acetate Traditional Name: 2-[6-keto-4-(3-mesylphenyl)-5-phenyl-pyridazin-1-yl]acetic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(C=N1)C2=CC(=CC=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(C=N1)C2=CC(=CC=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O5S/c1-27-18(23)13-22-20(24)19(14-7-4-3-5-8-14)17(12-21-22)15-9-6-10-16(11-15)28(2,25)26/h3-12H,13H2,1-2H3