2-[2-[2-(chloromethyl)-3-methyl-pyridin-4-yl]sulfanylethyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[2-[2-(chloromethyl)-3-methyl-pyridin-4-yl]sulfanylethyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-[[2-(chloromethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2-[[2-(chloromethyl)-3-methyl-4-pyridinyl]thio]ethyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[2-[2-(chloromethyl)-3-methylpyridin-4-yl]sulfanylethyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[2-[[2-(chloromethyl)-3-methyl-4-pyridyl]thio]ethyl]-3,4-dihydro-1H-isoquinoline Formula: C18H21ClN2S MolecularWeight: 332.89074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CCl)SCCN2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C=CN=C1CCl)SCCN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H21ClN2S/c1-14-17(12-19)20-8-6-18(14)22-11-10-21-9-7-15-4-2-3-5-16(15)13-21/h2-6,8H,7,9-13H2,1H3