2-(3-methylphenyl)sulfanyl-1-piperazin-1-yl-ethanone

Systemtic Name: 2-(3-methylphenyl)sulfanyl-1-piperazin-1-yl-ethanone Openeye Name: 2-(m-tolylsulfanyl)-1-piperazin-1-yl-ethanone CAS Name: 2-[(3-methylphenyl)thio]-1-(1-piperazinyl)ethanone IUPAC Name: 2-(3-methylphenyl)sulfanyl-1-piperazin-1-ylethanone Traditional Name: 2-(m-tolylthio)-1-piperazino-ethanone Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCC(=O)N2CCNCC2

Isomeric SMILES

CC1=CC(=CC=C1)SCC(=O)N2CCNCC2

InChI

InChI=1S/C13H18N2OS/c1-11-3-2-4-12(9-11)17-10-13(16)15-7-5-14-6-8-15/h2-4,9,14H,5-8,10H2,1H3