2-but-2-ynyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-but-2-ynyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-but-2-ynyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-but-2-ynyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-but-2-ynyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-but-2-ynyl-6-(4-fluorophenyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C21H17FN2O3S MolecularWeight: 396.434683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=O)C=C(C(=N1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC#CCN1C(=O)C=C(C(=N1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H17FN2O3S/c1-3-4-13-24-20(25)14-19(15-7-11-18(12-8-15)28(2,26)27)21(23-24)16-5-9-17(22)10-6-16/h5-12,14H,13H2,1-2H3