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

Systemtic Name: 2-[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[1-(2-methoxyphenyl)-4-methyl-7-pyrazolo[3,4-d]pyridazinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]-N-phenethyl-acetamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3OC)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3OC)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2S/c1-16-18-14-25-28(19-10-6-7-11-20(19)30-2)22(18)23(27-26-16)31-15-21(29)24-13-12-17-8-4-3-5-9-17/h3-11,14H,12-13,15H2,1-2H3,(H,24,29)