2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-[(4-ethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-[(4-ethoxyphenyl)methyl]ethanamide Openeye Name: 2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-[(4-ethoxyphenyl)methyl]acetamide CAS Name: 2-[(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]-N-[(4-ethoxyphenyl)methyl]acetamide IUPAC Name: 2-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-[(4-ethoxyphenyl)methyl]acetamide Traditional Name: 2-[(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]-N-(4-ethoxybenzyl)acetamide Formula: C24H25N5O2S MolecularWeight: 447.5526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(C3=C(N(N=C32)C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(C3=C(N(N=C32)C4=CC=CC=C4)C)C

InChI

InChI=1S/C24H25N5O2S/c1-4-31-20-12-10-18(11-13-20)14-25-21(30)15-32-24-23-22(16(2)26-27-24)17(3)29(28-23)19-8-6-5-7-9-19/h5-13H,4,14-15H2,1-3H3,(H,25,30)