(3R,4R)-3-(chloromethyl)-2-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: (3R,4R)-3-(chloromethyl)-2-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline Openeye Name: (3R,4R)-3-(chloromethyl)-2-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline CAS Name: (3R,4R)-3-(chloromethyl)-2-methyl-4-[4-(methylthio)phenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: (3R,4R)-3-(chloromethyl)-2-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline Traditional Name: (3R,4R)-3-(chloromethyl)-2-methyl-4-[4-(methylthio)phenyl]-3,4-dihydro-1H-isoquinoline Formula: C18H20ClNS MolecularWeight: 317.8761

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2C(C1CCl)C3=CC=C(C=C3)SC

Isomeric SMILES

CN1CC2=CC=CC=C2[C@H]([C@@H]1CCl)C3=CC=C(C=C3)SC

InChI

InChI=1S/C18H20ClNS/c1-20-12-14-5-3-4-6-16(14)18(17(20)11-19)13-7-9-15(21-2)10-8-13/h3-10,17-18H,11-12H2,1-2H3/t17-,18+/m0/s1