4-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-benzyl-4-(4-fluorobenzyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C25H21FN2O3S MolecularWeight: 448.509243

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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)CC3=CC=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O3S/c1-32(30,31)22-13-9-20(10-14-22)24-16-27-28(17-19-5-3-2-4-6-19)25(29)23(24)15-18-7-11-21(26)12-8-18/h2-14,16H,15,17H2,1H3