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

Systemtic Name: 1-(azepan-1-yl)-2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(2,5-dimethylphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(2,5-dimethylphenyl)pyridazin-3-yl]thio]ethanone Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN=C(C=C2)SCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN=C(C=C2)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3OS/c1-15-7-8-16(2)17(13-15)18-9-10-19(22-21-18)25-14-20(24)23-11-5-3-4-6-12-23/h7-10,13H,3-6,11-12,14H2,1-2H3