3-(2-hydroxyethyl)-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide

Systemtic Name: 3-(2-hydroxyethyl)-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Openeye Name: 3-(2-hydroxyethyl)-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide CAS Name: 3-(2-hydroxyethyl)-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 3-(2-hydroxyethyl)-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Traditional Name: 3-(2-hydroxyethyl)-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Formula: C18H22BrNO3S MolecularWeight: 412.34118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=C(C(=C(C=C21)O)O)SC3=CC=CC=C3)CCO.Br

Isomeric SMILES

C1CN(CCC2=C(C(=C(C=C21)O)O)SC3=CC=CC=C3)CCO.Br

InChI

InChI=1S/C18H21NO3S.BrH/c20-11-10-19-8-6-13-12-16(21)17(22)18(15(13)7-9-19)23-14-4-2-1-3-5-14;/h1-5,12,20-22H,6-11H2;1H