9-chloranyl-5-(4-propan-2-ylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide

Systemtic Name: 9-chloranyl-5-(4-propan-2-ylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Openeye Name: 9-chloro-5-(4-isopropylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide CAS Name: 9-chloro-5-[4-(propan-2-ylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 9-chloro-5-(4-propan-2-ylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Traditional Name: 9-chloro-5-[4-(isopropylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Formula: C19H23BrClNO2S MolecularWeight: 444.81342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)O)O)Cl.Br

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)O)O)Cl.Br

InChI

InChI=1S/C19H22ClNO2S.BrH/c1-11(2)24-13-5-3-12(4-6-13)16-10-21-8-7-14-15(16)9-17(22)19(23)18(14)20;/h3-6,9,11,16,21-23H,7-8,10H2,1-2H3;1H