4-[2-(2-methylsulfanylphenyl)-5-(trifluoromethyloxy)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(2-methylsulfanylphenyl)-5-(trifluoromethyloxy)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(2-methylsulfanylphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-[2-(methylthio)phenyl]-5-(trifluoromethoxy)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2-methylsulfanylphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-[2-(methylthio)phenyl]-5-(trifluoromethoxy)-1H-indol-3-yl]butylamine Formula: C20H21F3N2OS MolecularWeight: 394.45375

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=C(C3=C(N2)C=CC(=C3)OC(F)(F)F)CCCCN

Isomeric SMILES

CSC1=CC=CC=C1C2=C(C3=C(N2)C=CC(=C3)OC(F)(F)F)CCCCN

InChI

InChI=1S/C20H21F3N2OS/c1-27-18-8-3-2-7-15(18)19-14(6-4-5-11-24)16-12-13(26-20(21,22)23)9-10-17(16)25-19/h2-3,7-10,12,25H,4-6,11,24H2,1H3