6-phenylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide

Systemtic Name: 6-phenylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Openeye Name: 6-phenylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide CAS Name: 6-(phenylthio)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide IUPAC Name: 6-phenylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Traditional Name: 6-(phenylthio)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Formula: C16H17BrNO2S- MolecularWeight: 367.28068

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C(C(=C(C=C21)O)O)SC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CNCCC2=C(C(=C(C=C21)O)O)SC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C16H17NO2S.BrH/c18-14-10-11-6-8-17-9-7-13(11)16(15(14)19)20-12-4-2-1-3-5-12;/h1-5,10,17-19H,6-9H2;1H/p-1