4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-[2-methoxy-5-(methylthio)phenyl]-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2-methoxy-5-methylsulfanylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-[2-methoxy-5-(methylthio)phenyl]-7-(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/c1-27-18-10-9-13(28-2)12-16(18)19-14(6-3-4-11-25)15-7-5-8-17(20(15)26-19)21(22,23)24/h5,7-10,12,26H,3-4,6,11,25H2,1-2H3