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

Systemtic Name: 5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Openeye Name: 5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide CAS Name: 5-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Traditional Name: 5-[4-(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=C(C=C1)C2CNCCC3=CC(=C(C=C23)O)O.Br

Isomeric SMILES

CSC1=CC=C(C=C1)C2CNCCC3=CC(=C(C=C23)O)O.Br

InChI

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