3-methyl-6-phenylsulfanyl-9-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide

Systemtic Name: 3-methyl-6-phenylsulfanyl-9-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Openeye Name: 3-methyl-6-phenylsulfanyl-9-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide CAS Name: 3-methyl-6-(phenylthio)-9-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 3-methyl-6-phenylsulfanyl-9-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Traditional Name: 3-methyl-6-(phenylthio)-9-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Formula: C18H19BrF3NO2S MolecularWeight: 450.31317

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(CC1)C(=C(C(=C2C(F)(F)F)O)O)SC3=CC=CC=C3.Br

Isomeric SMILES

CN1CCC2=C(CC1)C(=C(C(=C2C(F)(F)F)O)O)SC3=CC=CC=C3.Br

InChI

InChI=1S/C18H18F3NO2S.BrH/c1-22-9-7-12-13(8-10-22)17(25-11-5-3-2-4-6-11)16(24)15(23)14(12)18(19,20)21;/h2-6,23-24H,7-10H2,1H3;1H