2-(azepan-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine

Systemtic Name: 2-(azepan-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine Openeye Name: 2-(azepan-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine CAS Name: 2-(1-azepanyl)-2-[4-(trifluoromethylthio)phenyl]ethanamine IUPAC Name: 2-(azepan-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine Traditional Name: [2-(azepan-1-yl)-2-[4-(trifluoromethylthio)phenyl]ethyl]amine Formula: C15H21F3N2S MolecularWeight: 318.40085

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CN)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(CN)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C15H21F3N2S/c16-15(17,18)21-13-7-5-12(6-8-13)14(11-19)20-9-3-1-2-4-10-20/h5-8,14H,1-4,9-11,19H2