4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-[2-methoxy-5-(methylthio)phenyl]-5-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2-methoxy-5-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-[2-methoxy-5-(methylthio)phenyl]-5-(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C21H23F3N2OS MolecularWeight: 408.48033

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC)C2=C(C3=C(N2)C=CC(=C3)C(F)(F)F)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)SC)C2=C(C3=C(N2)C=CC(=C3)C(F)(F)F)CCCCN

InChI

InChI=1S/C21H23F3N2OS/c1-27-19-9-7-14(28-2)12-17(19)20-15(5-3-4-10-25)16-11-13(21(22,23)24)6-8-18(16)26-20/h6-9,11-12,26H,3-5,10,25H2,1-2H3