2-[2-azanyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]hexane-1,3-diol

Systemtic Name: 2-[2-azanyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]hexane-1,3-diol Openeye Name: 2-[2-amino-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]hexane-1,3-diol CAS Name: 2-[2-amino-4-[[3-(trifluoromethyl)phenyl]thio]phenyl]hexane-1,3-diol IUPAC Name: 2-[2-amino-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]hexane-1,3-diol Traditional Name: 2-[2-amino-4-[[3-(trifluoromethyl)phenyl]thio]phenyl]hexane-1,3-diol Formula: C19H22F3NO2S MolecularWeight: 385.44369

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CO)C1=C(C=C(C=C1)SC2=CC=CC(=C2)C(F)(F)F)N)O

Isomeric SMILES

CCCC(C(CO)C1=C(C=C(C=C1)SC2=CC=CC(=C2)C(F)(F)F)N)O

InChI

InChI=1S/C19H22F3NO2S/c1-2-4-18(25)16(11-24)15-8-7-14(10-17(15)23)26-13-6-3-5-12(9-13)19(20,21)22/h3,5-10,16,18,24-25H,2,4,11,23H2,1H3