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

Systemtic Name: 2-[1-(3,4-dimethylphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[1-(3,4-dimethylphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[1-(3,4-dimethylphenyl)-4-methyl-7-pyrazolo[3,4-d]pyridazinyl]thio]-N-propylacetamide IUPAC Name: 2-[1-(3,4-dimethylphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[1-(3,4-dimethylphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]-N-propyl-acetamide Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(C2=C1N(N=C2)C3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(C2=C1N(N=C2)C3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C19H23N5OS/c1-5-8-20-17(25)11-26-19-18-16(14(4)22-23-19)10-21-24(18)15-7-6-12(2)13(3)9-15/h6-7,9-10H,5,8,11H2,1-4H3,(H,20,25)