N-[[3-(trifluoromethyl)phenyl]methyl]thian-4-amine

Systemtic Name: N-[[3-(trifluoromethyl)phenyl]methyl]thian-4-amine Openeye Name: N-[[3-(trifluoromethyl)phenyl]methyl]tetrahydrothiopyran-4-amine CAS Name: N-[[3-(trifluoromethyl)phenyl]methyl]-4-thianamine IUPAC Name: N-[[3-(trifluoromethyl)phenyl]methyl]thian-4-amine Traditional Name: tetrahydrothiopyran-4-yl-[3-(trifluoromethyl)benzyl]amine Formula: C13H16F3NS MolecularWeight: 275.33305

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1CSCCC1NCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H16F3NS/c14-13(15,16)11-3-1-2-10(8-11)9-17-12-4-6-18-7-5-12/h1-3,8,12,17H,4-7,9H2