1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C19H22ClNO2S MolecularWeight: 363.90148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)CCSC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)CCSC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C19H22ClNO2S/c1-22-18-11-13-7-9-21-17(16(13)12-19(18)23-2)8-10-24-15-5-3-14(20)4-6-15/h3-6,11-12,17,21H,7-10H2,1-2H3