2-[[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]indol-5-yl]oxymethyl]quinoline

Systemtic Name: 2-[[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]indol-5-yl]oxymethyl]quinoline Openeye Name: 2-[[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]indol-5-yl]oxymethyl]quinoline CAS Name: 2-[[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-indolyl]oxymethyl]quinoline IUPAC Name: 2-[[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]indol-5-yl]oxymethyl]quinoline Traditional Name: 2-[[3-(tert-butylthio)-1-(4-chlorobenzyl)indol-5-yl]oxymethyl]quinoline Formula: C29H27ClN2OS MolecularWeight: 487.05548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27ClN2OS/c1-29(2,3)34-28-18-32(17-20-8-11-22(30)12-9-20)27-15-14-24(16-25(27)28)33-19-23-13-10-21-6-4-5-7-26(21)31-23/h4-16,18H,17,19H2,1-3H3