6-phenylsulfanyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide

Systemtic Name: 6-phenylsulfanyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Openeye Name: 3-allyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide CAS Name: 6-(phenylthio)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 6-phenylsulfanyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Traditional Name: 3-allyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Formula: C19H22BrNO2S MolecularWeight: 408.35248

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC2=CC(=C(C(=C2CC1)SC3=CC=CC=C3)O)O.Br

Isomeric SMILES

C=CCN1CCC2=CC(=C(C(=C2CC1)SC3=CC=CC=C3)O)O.Br

InChI

InChI=1S/C19H21NO2S.BrH/c1-2-10-20-11-8-14-13-17(21)18(22)19(16(14)9-12-20)23-15-6-4-3-5-7-15;/h2-7,13,21-22H,1,8-12H2;1H