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

Systemtic Name: 4-[4-chloranyl-2-(2-methoxy-5-methylsulfanyl-phenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[4-chloro-2-(2-methoxy-5-methylsulfanyl-phenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[4-chloro-2-[2-methoxy-5-(methylthio)phenyl]-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[4-chloro-2-(2-methoxy-5-methylsulfanylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[4-chloro-2-[2-methoxy-5-(methylthio)phenyl]-7-(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C21H22ClF3N2OS MolecularWeight: 442.92539

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC)C2=C(C3=C(C=CC(=C3N2)C(F)(F)F)Cl)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)SC)C2=C(C3=C(C=CC(=C3N2)C(F)(F)F)Cl)CCCCN

InChI

InChI=1S/C21H22ClF3N2OS/c1-28-17-9-6-12(29-2)11-14(17)19-13(5-3-4-10-26)18-16(22)8-7-15(20(18)27-19)21(23,24)25/h6-9,11,27H,3-5,10,26H2,1-2H3