4-[(4-fluorophenyl)methyl]-5-(4-methylsulfanylphenyl)-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-[(4-fluorophenyl)methyl]-5-(4-methylsulfanylphenyl)-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-[(4-fluorophenyl)methyl]-5-(4-methylsulfanylphenyl)pyridazin-3-one CAS Name: 4-[(4-fluorophenyl)methyl]-5-[4-(methylthio)phenyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-[(4-fluorophenyl)methyl]-5-(4-methylsulfanylphenyl)pyridazin-3-one Traditional Name: 2-benzyl-4-(4-fluorobenzyl)-5-[4-(methylthio)phenyl]pyridazin-3-one Formula: C25H21FN2OS MolecularWeight: 416.510443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2OS/c1-30-22-13-9-20(10-14-22)24-16-27-28(17-19-5-3-2-4-6-19)25(29)23(24)15-18-7-11-21(26)12-8-18/h2-14,16H,15,17H2,1H3