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

Systemtic Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-phenylprop-1-ynyl)pyridazin-3-one Openeye Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-phenylprop-1-ynyl)pyridazin-3-one CAS Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-phenylprop-1-ynyl)-3-pyridazinone IUPAC Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-phenylprop-1-ynyl)pyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-5-(4-mesylphenyl)-2-(3-phenylprop-1-ynyl)pyridazin-3-one Formula: C26H19FN2O3S MolecularWeight: 458.504063

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

Isomeric SMILES

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

InChI

InChI=1S/C26H19FN2O3S/c1-33(31,32)23-15-11-20(12-16-23)24-18-28-29(17-5-8-19-6-3-2-4-7-19)26(30)25(24)21-9-13-22(27)14-10-21/h2-4,6-7,9-16,18H,8H2,1H3