4-azanyl-6-methyl-5-[3-(4-methylsulfanylphenyl)-1H-pyrazol-5-yl]-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-azanyl-6-methyl-5-[3-(4-methylsulfanylphenyl)-1H-pyrazol-5-yl]-2-(phenylmethyl)pyridazin-3-one Openeye Name: 4-amino-2-benzyl-6-methyl-5-[3-(4-methylsulfanylphenyl)-1H-pyrazol-5-yl]pyridazin-3-one CAS Name: 4-amino-6-methyl-5-[3-[4-(methylthio)phenyl]-1H-pyrazol-5-yl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 4-amino-2-benzyl-6-methyl-5-[3-(4-methylsulfanylphenyl)-1H-pyrazol-5-yl]pyridazin-3-one Traditional Name: 4-amino-2-benzyl-6-methyl-5-[3-[4-(methylthio)phenyl]-1H-pyrazol-5-yl]pyridazin-3-one Formula: C22H21N5OS MolecularWeight: 403.50004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C(=C1C2=CC(=NN2)C3=CC=C(C=C3)SC)N)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C(=C1C2=CC(=NN2)C3=CC=C(C=C3)SC)N)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-14-20(19-12-18(24-25-19)16-8-10-17(29-2)11-9-16)21(23)22(28)27(26-14)13-15-6-4-3-5-7-15/h3-12H,13,23H2,1-2H3,(H,24,25)