4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(thiophen-3-ylmethyl)pyridazin-3-one

Systemtic Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(thiophen-3-ylmethyl)pyridazin-3-one Openeye Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-thienylmethyl)pyridazin-3-one CAS Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-thiophenylmethyl)-3-pyridazinone IUPAC Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(thiophen-3-ylmethyl)pyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-5-(4-mesylphenyl)-2-(3-thenyl)pyridazin-3-one Formula: C22H17FN2O3S2 MolecularWeight: 440.510383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC3=CSC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC3=CSC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN2O3S2/c1-30(27,28)19-8-4-16(5-9-19)20-12-24-25(13-15-10-11-29-14-15)22(26)21(20)17-2-6-18(23)7-3-17/h2-12,14H,13H2,1H3