2-[1-(4-tert-butylsulfanylphenyl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol hydrobromide

Systemtic Name: 2-[1-(4-tert-butylsulfanylphenyl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol hydrobromide Openeye Name: 2-[[2-(4-tert-butylsulfanylphenyl)-1-methyl-ethyl]amino]-1-(3-chlorophenyl)ethanol hydrobromide CAS Name: 2-[1-[4-(tert-butylthio)phenyl]propan-2-ylamino]-1-(3-chlorophenyl)ethanol hydrobromide IUPAC Name: 2-[1-(4-tert-butylsulfanylphenyl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol hydrobromide Traditional Name: 2-[[2-[4-(tert-butylthio)phenyl]-1-methyl-ethyl]amino]-1-(3-chlorophenyl)ethanol hydrobromide Formula: C21H29BrClNOS MolecularWeight: 458.88306

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)SC(C)(C)C)NCC(C2=CC(=CC=C2)Cl)O.Br

Isomeric SMILES

CC(CC1=CC=C(C=C1)SC(C)(C)C)NCC(C2=CC(=CC=C2)Cl)O.Br

InChI

InChI=1S/C21H28ClNOS.BrH/c1-15(23-14-20(24)17-6-5-7-18(22)13-17)12-16-8-10-19(11-9-16)25-21(2,3)4;/h5-11,13,15,20,23-24H,12,14H2,1-4H3;1H