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

Systemtic Name: 9-bromanyl-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Openeye Name: 9-bromo-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CAS Name: 9-bromo-5-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol IUPAC Name: 9-bromo-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Traditional Name: 9-bromo-5-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Formula: C17H18BrNO2S MolecularWeight: 380.29932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO2S/c1-22-11-4-2-10(3-5-11)14-9-19-7-6-12-13(14)8-15(20)17(21)16(12)18/h2-5,8,14,19-21H,6-7,9H2,1H3