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

Systemtic Name: 4-[4-chloranyl-2-(2-methylsulfanylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[4-chloro-2-(2-methylsulfanylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[4-chloro-2-[2-(methylthio)phenyl]-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[4-chloro-2-(2-methylsulfanylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[4-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=C(C=CC(=C3N2)C(F)(F)F)Cl)CCCCN

Isomeric SMILES

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

InChI

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