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

Systemtic Name: 1-[(4-chlorophenyl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-[(4-chlorophenyl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-[[(4-chlorophenyl)thio]methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-[(4-chlorophenyl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-[[(4-chlorophenyl)thio]methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C16H16ClNO2S MolecularWeight: 321.82174

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H16ClNO2S/c17-11-1-3-12(4-2-11)21-9-14-13-8-16(20)15(19)7-10(13)5-6-18-14/h1-4,7-8,14,18-20H,5-6,9H2