1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanone

Systemtic Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(2-pyridyl)piperazin-1-yl]-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanone CAS Name: 1-[4-(2-pyridinyl)-1-piperazinyl]-2-[(2,3,5,6-tetramethylphenyl)thio]ethanone IUPAC Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanylethanone Traditional Name: 1-[4-(2-pyridyl)piperazino]-2-[(2,3,5,6-tetramethylphenyl)thio]ethanone Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)N2CCN(CC2)C3=CC=CC=N3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)N2CCN(CC2)C3=CC=CC=N3)C)C

InChI

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