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

Systemtic Name: 3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Openeye Name: 3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide CAS Name: 3-methyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide IUPAC Name: 3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Traditional Name: 3-methyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Formula: C17H19BrNO2S- MolecularWeight: 381.30726

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C(=C2CC1)SC3=CC=CC=C3)O)O.[Br-]

Isomeric SMILES

CN1CCC2=CC(=C(C(=C2CC1)SC3=CC=CC=C3)O)O.[Br-]

InChI

InChI=1S/C17H19NO2S.BrH/c1-18-9-7-12-11-15(19)16(20)17(14(12)8-10-18)21-13-5-3-2-4-6-13;/h2-6,11,19-20H,7-10H2,1H3;1H/p-1