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

Systemtic Name: 1-(azepan-1-yl)-2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(3,4-dimethylphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(3,4-dimethylphenyl)pyridazin-3-yl]thio]ethanone Formula: C20H25N3OS MolecularWeight: 355.497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3OS/c1-15-7-8-17(13-16(15)2)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