1-(tert-butylamino)-3-[2-[2-(4-methylsulfanylphenyl)ethynyl]phenoxy]propan-2-ol

Systemtic Name: 1-(tert-butylamino)-3-[2-[2-(4-methylsulfanylphenyl)ethynyl]phenoxy]propan-2-ol Openeye Name: 1-(tert-butylamino)-3-[2-[2-(4-methylsulfanylphenyl)ethynyl]phenoxy]propan-2-ol CAS Name: 1-(tert-butylamino)-3-[2-[2-[4-(methylthio)phenyl]ethynyl]phenoxy]-2-propanol IUPAC Name: 1-(tert-butylamino)-3-[2-[2-(4-methylsulfanylphenyl)ethynyl]phenoxy]propan-2-ol Traditional Name: 1-(tert-butylamino)-3-[2-[2-[4-(methylthio)phenyl]ethynyl]phenoxy]propan-2-ol Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC=C1C#CC2=CC=C(C=C2)SC)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC=C1C#CC2=CC=C(C=C2)SC)O

InChI

InChI=1S/C22H27NO2S/c1-22(2,3)23-15-19(24)16-25-21-8-6-5-7-18(21)12-9-17-10-13-20(26-4)14-11-17/h5-8,10-11,13-14,19,23-24H,15-16H2,1-4H3