2-[3,4-bis(chloranyl)-5-methyl-phenyl]sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[3,4-bis(chloranyl)-5-methyl-phenyl]sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3,4-dichloro-5-methyl-phenyl)sulfanyl-1-[4-(4-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[(3,4-dichloro-5-methylphenyl)thio]-1-(4-pyridin-4-yl-1-piperazinyl)ethanone IUPAC Name: 2-(3,4-dichloro-5-methylphenyl)sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(3,4-dichloro-5-methyl-phenyl)thio]-1-[4-(4-pyridyl)piperazino]ethanone Formula: C18H19Cl2N3OS MolecularWeight: 396.33396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)Cl)SCC(=O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)Cl)SCC(=O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C18H19Cl2N3OS/c1-13-10-15(11-16(19)18(13)20)25-12-17(24)23-8-6-22(7-9-23)14-2-4-21-5-3-14/h2-5,10-11H,6-9,12H2,1H3