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

Systemtic Name: 2-(3-chlorophenyl)-4-[methyl-(phenylmethyl)amino]-5-(4-methylsulfanylphenyl)pyridazin-3-one Openeye Name: 4-[benzyl(methyl)amino]-2-(3-chlorophenyl)-5-(4-methylsulfanylphenyl)pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-4-[methyl-(phenylmethyl)amino]-5-[4-(methylthio)phenyl]-3-pyridazinone IUPAC Name: 4-[benzyl(methyl)amino]-2-(3-chlorophenyl)-5-(4-methylsulfanylphenyl)pyridazin-3-one Traditional Name: 4-[benzyl(methyl)amino]-2-(3-chlorophenyl)-5-[4-(methylthio)phenyl]pyridazin-3-one Formula: C25H22ClN3OS MolecularWeight: 447.97968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=NN(C2=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)SC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=NN(C2=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)SC

InChI

InChI=1S/C25H22ClN3OS/c1-28(17-18-7-4-3-5-8-18)24-23(19-11-13-22(31-2)14-12-19)16-27-29(25(24)30)21-10-6-9-20(26)15-21/h3-16H,17H2,1-2H3