1-(azepan-1-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(2,4,5-trimethylphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]thio]ethanone Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)N3CCCCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)N3CCCCCC3)C)C

InChI

InChI=1S/C21H27N3OS/c1-15-12-17(3)18(13-16(15)2)19-8-9-20(23-22-19)26-14-21(25)24-10-6-4-5-7-11-24/h8-9,12-13H,4-7,10-11,14H2,1-3H3