2-(1-adamantyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(1-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)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)F

InChI

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