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

Systemtic Name: 4-(4-fluorophenyl)-2-hex-2-ynyl-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 4-(4-fluorophenyl)-2-hex-2-ynyl-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-(4-fluorophenyl)-2-hex-2-ynyl-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 4-(4-fluorophenyl)-2-hex-2-ynyl-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-2-hex-2-ynyl-5-(4-mesylphenyl)pyridazin-3-one Formula: C23H21FN2O3S MolecularWeight: 424.487843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN2O3S/c1-3-4-5-6-15-26-23(27)22(18-7-11-19(24)12-8-18)21(16-25-26)17-9-13-20(14-10-17)30(2,28)29/h7-14,16H,3-4,15H2,1-2H3