N-(2,4-dimethylphenyl)-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[(4-methyl-1-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-(4-methyl-1-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C3=C2N(N=C3)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C3=C2N(N=C3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C22H21N5OS/c1-14-9-10-19(15(2)11-14)24-20(28)13-29-22-21-18(16(3)25-26-22)12-23-27(21)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,24,28)