2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanethiol

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanethiol Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanethiol CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]ethanethiol IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanethiol Traditional Name: 2-[4-(4-chlorobenzyl)piperazino]ethanethiol Formula: C13H19ClN2S MolecularWeight: 270.82136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(CCN1CCS)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H19ClN2S/c14-13-3-1-12(2-4-13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2