4-(3-chloranyl-4-fluoranyl-phenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyridazin-3-one

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyridazin-3-one Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyridazin-3-one CAS Name: 4-(3-chloro-4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-3-pyridazinone IUPAC Name: 4-(3-chloro-4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethylpyridazin-3-one Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-5-(4-mesylphenyl)-2-phenethyl-pyridazin-3-one Formula: C25H20ClFN2O3S MolecularWeight: 482.954303

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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)CCC3=CC=CC=C3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CCC3=CC=CC=C3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C25H20ClFN2O3S/c1-33(31,32)20-10-7-18(8-11-20)21-16-28-29(14-13-17-5-3-2-4-6-17)25(30)24(21)19-9-12-23(27)22(26)15-19/h2-12,15-16H,13-14H2,1H3