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

Systemtic Name: 5-(2-methylphenyl)-9-methylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Openeye Name: 9-methylsulfanyl-5-(o-tolyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide CAS Name: 5-(2-methylphenyl)-9-(methylthio)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 5-(2-methylphenyl)-9-methylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Traditional Name: 9-(methylthio)-5-(o-tolyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Formula: C18H22BrNO2S MolecularWeight: 396.34178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CNCCC3=C(C(=C(C=C23)O)O)SC.Br

Isomeric SMILES

CC1=CC=CC=C1C2CNCCC3=C(C(=C(C=C23)O)O)SC.Br

InChI

InChI=1S/C18H21NO2S.BrH/c1-11-5-3-4-6-12(11)15-10-19-8-7-13-14(15)9-16(20)17(21)18(13)22-2;/h3-6,9,15,19-21H,7-8,10H2,1-2H3;1H