N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]butan-1-amine

Systemtic Name: N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]butan-1-amine Openeye Name: N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]butan-1-amine CAS Name: N-[[4-(trifluoromethylthio)phenyl]methyl]-1-butanamine IUPAC Name: N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]butan-1-amine Traditional Name: butyl-[4-(trifluoromethylthio)benzyl]amine Formula: C12H16F3NS MolecularWeight: 263.32235

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

CCCCNCC1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C12H16F3NS/c1-2-3-8-16-9-10-4-6-11(7-5-10)17-12(13,14)15/h4-7,16H,2-3,8-9H2,1H3