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

Systemtic Name: 4-[5-chloranyl-2-(2-methylsulfanylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-chloro-2-(2-methylsulfanylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-chloro-2-[2-(methylthio)phenyl]-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-chloro-2-(2-methylsulfanylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-chloro-2-[2-(methylthio)phenyl]-7-(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C20H20ClF3N2S MolecularWeight: 412.89941

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=C(C3=CC(=CC(=C3N2)C(F)(F)F)Cl)CCCCN

Isomeric SMILES

CSC1=CC=CC=C1C2=C(C3=CC(=CC(=C3N2)C(F)(F)F)Cl)CCCCN

InChI

InChI=1S/C20H20ClF3N2S/c1-27-17-8-3-2-7-14(17)18-13(6-4-5-9-25)15-10-12(21)11-16(19(15)26-18)20(22,23)24/h2-3,7-8,10-11,26H,4-6,9,25H2,1H3