4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-ynyl-pyridazin-3-one

Systemtic Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-ynyl-pyridazin-3-one Openeye Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-ynyl-pyridazin-3-one CAS Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-ynyl-3-pyridazinone IUPAC Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-ynylpyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-5-(4-mesylphenyl)-2-propargyl-pyridazin-3-one Formula: C20H15FN2O3S MolecularWeight: 382.408103

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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)CC#C)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC#C)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H15FN2O3S/c1-3-12-23-20(24)19(15-4-8-16(21)9-5-15)18(13-22-23)14-6-10-17(11-7-14)27(2,25)26/h1,4-11,13H,12H2,2H3