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

Systemtic Name: 5-(2-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Openeye Name: 5-(2-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide CAS Name: 5-[2-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 5-(2-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Traditional Name: 5-[2-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Formula: C17H20BrNO2S MolecularWeight: 382.3152

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2CNCCC3=CC(=C(C=C23)O)O.Br

Isomeric SMILES

CSC1=CC=CC=C1C2CNCCC3=CC(=C(C=C23)O)O.Br

InChI

InChI=1S/C17H19NO2S.BrH/c1-21-17-5-3-2-4-12(17)14-10-18-7-6-11-8-15(19)16(20)9-13(11)14;/h2-5,8-9,14,18-20H,6-7,10H2,1H3;1H