1-(azepan-1-yl)-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(4-methyl-1-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4-methyl-1-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]ethanone Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC(=O)N4CCCCCC4

InChI

InChI=1S/C20H23N5OS/c1-15-17-13-21-25(16-9-5-4-6-10-16)19(17)20(23-22-15)27-14-18(26)24-11-7-2-3-8-12-24/h4-6,9-10,13H,2-3,7-8,11-12,14H2,1H3