5-(4-chlorophenyl)-6-(4-methylsulfonylphenyl)-2-(3-phenylpropyl)pyridazin-3-one

Systemtic Name: 5-(4-chlorophenyl)-6-(4-methylsulfonylphenyl)-2-(3-phenylpropyl)pyridazin-3-one Openeye Name: 5-(4-chlorophenyl)-6-(4-methylsulfonylphenyl)-2-(3-phenylpropyl)pyridazin-3-one CAS Name: 5-(4-chlorophenyl)-6-(4-methylsulfonylphenyl)-2-(3-phenylpropyl)-3-pyridazinone IUPAC Name: 5-(4-chlorophenyl)-6-(4-methylsulfonylphenyl)-2-(3-phenylpropyl)pyridazin-3-one Traditional Name: 5-(4-chlorophenyl)-6-(4-mesylphenyl)-2-(3-phenylpropyl)pyridazin-3-one Formula: C26H23ClN2O3S MolecularWeight: 478.99042

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=C(C=C3)Cl)CCCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=C(C=C3)Cl)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H23ClN2O3S/c1-33(31,32)23-15-11-21(12-16-23)26-24(20-9-13-22(27)14-10-20)18-25(30)29(28-26)17-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-16,18H,5,8,17H2,1H3