1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-(4-pyridylthio)ethanone Formula: C18H20ClN3OS MolecularWeight: 361.8889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C18H20ClN3OS/c1-14-2-3-15(19)12-17(14)21-8-10-22(11-9-21)18(23)13-24-16-4-6-20-7-5-16/h2-7,12H,8-11,13H2,1H3