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

Systemtic Name: 1-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]ethanol Openeye Name: 1-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(2-quinolylmethoxy)indol-2-yl]ethanol CAS Name: 1-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-(2-quinolinylmethoxy)-2-indolyl]ethanol IUPAC Name: 1-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]ethanol Traditional Name: 1-[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(C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)SC(C)(C)C)O

Isomeric SMILES

CC(C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)SC(C)(C)C)O

InChI

InChI=1S/C31H31ClN2O2S/c1-20(35)29-30(37-31(2,3)4)26-17-25(36-19-24-14-11-22-7-5-6-8-27(22)33-24)15-16-28(26)34(29)18-21-9-12-23(32)13-10-21/h5-17,20,35H,18-19H2,1-4H3