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

Systemtic Name: 2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-(p-tolylmethyl)acetamide CAS Name: 2-[(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]-N-(4-methylbenzyl)acetamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(C3=C(N(N=C32)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(C3=C(N(N=C32)C4=CC=CC=C4)C)C

InChI

InChI=1S/C23H23N5OS/c1-15-9-11-18(12-10-15)13-24-20(29)14-30-23-22-21(16(2)25-26-23)17(3)28(27-22)19-7-5-4-6-8-19/h4-12H,13-14H2,1-3H3,(H,24,29)