5,6-dimethoxy-1-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 5,6-dimethoxy-1-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: 5,6-dimethoxy-1-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: 5,6-dimethoxy-1-[4-(methylthio)phenyl]-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 5,6-dimethoxy-1-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline Traditional Name: 5,6-dimethoxy-1-[4-(methylthio)phenyl]-1,2,3,4-tetrahydroisoquinoline Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(NCC2)C3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(NCC2)C3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C18H21NO2S/c1-20-16-9-8-14-15(18(16)21-2)10-11-19-17(14)12-4-6-13(22-3)7-5-12/h4-9,17,19H,10-11H2,1-3H3