5-phenyl-9-(trifluoromethylsulfanyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide

Systemtic Name: 5-phenyl-9-(trifluoromethylsulfanyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Openeye Name: 5-phenyl-9-(trifluoromethylsulfanyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide CAS Name: 5-phenyl-9-(trifluoromethylthio)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 5-phenyl-9-(trifluoromethylsulfanyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Traditional Name: 5-phenyl-9-(trifluoromethylthio)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Formula: C17H17BrF3NO2S MolecularWeight: 436.28659

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C2=CC(=C(C(=C21)SC(F)(F)F)O)O)C3=CC=CC=C3.Br

Isomeric SMILES

C1CNCC(C2=CC(=C(C(=C21)SC(F)(F)F)O)O)C3=CC=CC=C3.Br

InChI

InChI=1S/C17H16F3NO2S.BrH/c18-17(19,20)24-16-11-6-7-21-9-13(10-4-2-1-3-5-10)12(11)8-14(22)15(16)23;/h1-5,8,13,21-23H,6-7,9H2;1H