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

Systemtic Name: 9-methylsulfanyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Openeye Name: 9-methylsulfanyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide CAS Name: 9-(methylthio)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 9-methylsulfanyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Traditional Name: 9-(methylthio)-5-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=C2CCNCC(C2=CC(=C1O)O)C3=CC=CC=C3.Br

Isomeric SMILES

CSC1=C2CCNCC(C2=CC(=C1O)O)C3=CC=CC=C3.Br

InChI

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