2-(2-adamantyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(2-adamantyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(2-adamantyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(2-adamantyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(2-adamantyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(2-adamantyl)-4-(4-fluorophenyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C27H27FN2O3S MolecularWeight: 478.578283

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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)C3C4CC5CC(C4)CC3C5)C6=CC=C(C=C6)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)C3C4CC5CC(C4)CC3C5)C6=CC=C(C=C6)F

InChI

InChI=1S/C27H27FN2O3S/c1-34(32,33)23-8-4-18(5-9-23)24-15-29-30(27(31)25(24)19-2-6-22(28)7-3-19)26-20-11-16-10-17(13-20)14-21(26)12-16/h2-9,15-17,20-21,26H,10-14H2,1H3