2-azanyl-5-[2-chloranyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]hexane-1,3-diol

Systemtic Name: 2-azanyl-5-[2-chloranyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]hexane-1,3-diol Openeye Name: 2-amino-5-[2-chloro-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]hexane-1,3-diol CAS Name: 2-amino-5-[2-chloro-4-[[3-(trifluoromethyl)phenyl]thio]phenyl]hexane-1,3-diol IUPAC Name: 2-amino-5-[2-chloro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]hexane-1,3-diol Traditional Name: 2-amino-5-[2-chloro-4-[[3-(trifluoromethyl)phenyl]thio]phenyl]hexane-1,3-diol Formula: C19H21ClF3NO2S MolecularWeight: 419.88875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClF3NO2S/c1-11(7-18(26)17(24)10-25)15-6-5-14(9-16(15)20)27-13-4-2-3-12(8-13)19(21,22)23/h2-6,8-9,11,17-18,25-26H,7,10,24H2,1H3