2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]ethanol

Systemtic Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]ethanol Openeye Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(2-quinolylmethoxy)indol-2-yl]ethanol CAS Name: 2-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-(2-quinolinylmethoxy)-2-indolyl]ethanol IUPAC Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]ethanol Traditional Name: 2-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(2-quinolylmethoxy)indol-2-yl]ethanol Formula: C31H31ClN2O2S MolecularWeight: 531.10804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CCO

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CCO

InChI

InChI=1S/C31H31ClN2O2S/c1-31(2,3)37-30-26-18-25(36-20-24-13-10-22-6-4-5-7-27(22)33-24)14-15-28(26)34(29(30)16-17-35)19-21-8-11-23(32)12-9-21/h4-15,18,35H,16-17,19-20H2,1-3H3