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

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[[6-(2,4,5-trimethylphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(4-methylpiperidino)-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:

CC1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC(=C(C=C3C)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC(=C(C=C3C)C)C

InChI

InChI=1S/C21H27N3OS/c1-14-7-9-24(10-8-14)21(25)13-26-20-6-5-19(22-23-20)18-12-16(3)15(2)11-17(18)4/h5-6,11-12,14H,7-10,13H2,1-4H3