1-(tert-butylamino)-3-[2-[2-(2-methyl-3-methylsulfanyl-1H-indol-5-yl)ethynyl]phenoxy]propan-2-ol

Systemtic Name: 1-(tert-butylamino)-3-[2-[2-(2-methyl-3-methylsulfanyl-1H-indol-5-yl)ethynyl]phenoxy]propan-2-ol Openeye Name: 1-(tert-butylamino)-3-[2-[2-(2-methyl-3-methylsulfanyl-1H-indol-5-yl)ethynyl]phenoxy]propan-2-ol CAS Name: 1-(tert-butylamino)-3-[2-[2-[2-methyl-3-(methylthio)-1H-indol-5-yl]ethynyl]phenoxy]-2-propanol IUPAC Name: 1-(tert-butylamino)-3-[2-[2-(2-methyl-3-methylsulfanyl-1H-indol-5-yl)ethynyl]phenoxy]propan-2-ol Traditional Name: 1-(tert-butylamino)-3-[2-[2-[2-methyl-3-(methylthio)-1H-indol-5-yl]ethynyl]phenoxy]propan-2-ol Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)C#CC3=CC=CC=C3OCC(CNC(C)(C)C)O)SC

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)C#CC3=CC=CC=C3OCC(CNC(C)(C)C)O)SC

InChI

InChI=1S/C25H30N2O2S/c1-17-24(30-5)21-14-18(11-13-22(21)27-17)10-12-19-8-6-7-9-23(19)29-16-20(28)15-26-25(2,3)4/h6-9,11,13-14,20,26-28H,15-16H2,1-5H3