N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propane-1,3-diamine

Systemtic Name: N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propane-1,3-diamine Openeye Name: N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propane-1,3-diamine CAS Name: N'-[[4-(trifluoromethylthio)phenyl]methyl]propane-1,3-diamine IUPAC Name: N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propane-1,3-diamine Traditional Name: 3-aminopropyl-[4-(trifluoromethylthio)benzyl]amine Formula: C11H15F3N2S MolecularWeight: 264.31041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCCCN)SC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CNCCCN)SC(F)(F)F

InChI

InChI=1S/C11H15F3N2S/c12-11(13,14)17-10-4-2-9(3-5-10)8-16-7-1-6-15/h2-5,16H,1,6-8,15H2