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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCNCC2

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCNCC2

InChI

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