4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-[2-methoxy-5-(methylthio)phenyl]-4,6-bis(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2-methoxy-5-methylsulfanylphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-[2-methoxy-5-(methylthio)phenyl]-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C22H22F6N2OS MolecularWeight: 476.478299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22F6N2OS/c1-31-18-7-6-13(32-2)11-15(18)20-14(5-3-4-8-29)19-16(22(26,27)28)9-12(21(23,24)25)10-17(19)30-20/h6-7,9-11,30H,3-5,8,29H2,1-2H3