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

Systemtic Name: 2-(cyclopropylmethyl)-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(cyclopropylmethyl)-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(cyclopropylmethyl)-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(cyclopropylmethyl)-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(cyclopropylmethyl)-5-(4-fluorophenyl)-6-(4-mesylphenyl)pyridazin-3-one Formula: C21H19FN2O3S MolecularWeight: 398.450563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=C(C=C3)F)CC4CC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=C(C=C3)F)CC4CC4

InChI

InChI=1S/C21H19FN2O3S/c1-28(26,27)18-10-6-16(7-11-18)21-19(15-4-8-17(22)9-5-15)12-20(25)24(23-21)13-14-2-3-14/h4-12,14H,2-3,13H2,1H3