[2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]methyl benzoate

Systemtic Name: [2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]methyl benzoate Openeye Name: [2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-pyridazin-4-yl]methyl benzoate CAS Name: benzoic acid [2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-4-pyridazinyl]methyl ester IUPAC Name: [2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl]methyl benzoate Traditional Name: benzoic acid [2-(3-chlorophenyl)-3-keto-5-(4-mesylphenyl)pyridazin-4-yl]methyl ester Formula: C25H19ClN2O5S MolecularWeight: 494.94676

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)C3=CC(=CC=C3)Cl)COC(=O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)C3=CC(=CC=C3)Cl)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H19ClN2O5S/c1-34(31,32)21-12-10-17(11-13-21)22-15-27-28(20-9-5-8-19(26)14-20)24(29)23(22)16-33-25(30)18-6-3-2-4-7-18/h2-15H,16H2,1H3