4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(quinolin-2-ylmethyl)pyridazin-3-one

Systemtic Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(quinolin-2-ylmethyl)pyridazin-3-one Openeye Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-quinolylmethyl)pyridazin-3-one CAS Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-quinolinylmethyl)-3-pyridazinone IUPAC Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(quinolin-2-ylmethyl)pyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-5-(4-mesylphenyl)-2-(2-quinolylmethyl)pyridazin-3-one Formula: C27H20FN3O3S MolecularWeight: 485.529403

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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=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H20FN3O3S/c1-35(33,34)23-14-9-18(10-15-23)24-16-29-31(27(32)26(24)20-6-11-21(28)12-7-20)17-22-13-8-19-4-2-3-5-25(19)30-22/h2-16H,17H2,1H3