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

Systemtic Name: N-(4-ethoxyphenyl)-2-[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[4-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[4-methyl-1-(4-methylphenyl)-7-pyrazolo[3,4-d]pyridazinyl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[4-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide Traditional Name: 2-[[4-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]-N-p-phenetyl-acetamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C3=C2N(N=C3)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C3=C2N(N=C3)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C23H23N5O2S/c1-4-30-19-11-7-17(8-12-19)25-21(29)14-31-23-22-20(16(3)26-27-23)13-24-28(22)18-9-5-15(2)6-10-18/h5-13H,4,14H2,1-3H3,(H,25,29)