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

Systemtic Name: 1-[(4-chlorophenyl)sulfanylmethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-[(4-chlorophenyl)sulfanylmethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[[(4-chlorophenyl)thio]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[(4-chlorophenyl)sulfanylmethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-[[(4-chlorophenyl)thio]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C18H20ClNO2S MolecularWeight: 349.8749

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)CSC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)CSC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C18H20ClNO2S/c1-21-17-9-12-7-8-20-16(15(12)10-18(17)22-2)11-23-14-5-3-13(19)4-6-14/h3-6,9-10,16,20H,7-8,11H2,1-2H3