2-[2-(chloromethyl)-3-methyl-pyridin-4-yl]sulfanyl-N-methyl-N-(phenylmethyl)ethanamine

Systemtic Name: 2-[2-(chloromethyl)-3-methyl-pyridin-4-yl]sulfanyl-N-methyl-N-(phenylmethyl)ethanamine Openeye Name: N-benzyl-2-[[2-(chloromethyl)-3-methyl-4-pyridyl]sulfanyl]-N-methyl-ethanamine CAS Name: 2-[[2-(chloromethyl)-3-methyl-4-pyridinyl]thio]-N-methyl-N-(phenylmethyl)ethanamine IUPAC Name: N-benzyl-2-[2-(chloromethyl)-3-methylpyridin-4-yl]sulfanyl-N-methylethanamine Traditional Name: benzyl-[2-[[2-(chloromethyl)-3-methyl-4-pyridyl]thio]ethyl]-methyl-amine Formula: C17H21ClN2S MolecularWeight: 320.88004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CCl)SCCN(C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CN=C1CCl)SCCN(C)CC2=CC=CC=C2

InChI

InChI=1S/C17H21ClN2S/c1-14-16(12-18)19-9-8-17(14)21-11-10-20(2)13-15-6-4-3-5-7-15/h3-9H,10-13H2,1-2H3