2-[4-[2-[(2-pyridin-3-ylphenyl)methylsulfanyl]ethyl]piperazin-1-yl]ethanamine

Systemtic Name: 2-[4-[2-[(2-pyridin-3-ylphenyl)methylsulfanyl]ethyl]piperazin-1-yl]ethanamine Openeye Name: 2-[4-[2-[[2-(3-pyridyl)phenyl]methylsulfanyl]ethyl]piperazin-1-yl]ethanamine CAS Name: 2-[4-[2-[[2-(3-pyridinyl)phenyl]methylthio]ethyl]-1-piperazinyl]ethanamine IUPAC Name: 2-[4-[2-[(2-pyridin-3-ylphenyl)methylsulfanyl]ethyl]piperazin-1-yl]ethanamine Traditional Name: 2-[4-[2-[[2-(3-pyridyl)benzyl]thio]ethyl]piperazino]ethylamine Formula: C20H28N4S MolecularWeight: 356.52812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN)CCSCC2=CC=CC=C2C3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1CCN)CCSCC2=CC=CC=C2C3=CN=CC=C3

InChI

InChI=1S/C20H28N4S/c21-7-9-23-10-12-24(13-11-23)14-15-25-17-19-4-1-2-6-20(19)18-5-3-8-22-16-18/h1-6,8,16H,7,9-15,17,21H2