9-chloranyl-3-methyl-5-(4-methylsulfanylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide

Systemtic Name: 9-chloranyl-3-methyl-5-(4-methylsulfanylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Openeye Name: 9-chloro-3-methyl-5-(4-methylsulfanylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide CAS Name: 9-chloro-3-methyl-5-[4-(methylthio)phenyl]-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 9-chloro-3-methyl-5-(4-methylsulfanylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Traditional Name: 9-chloro-3-methyl-5-[4-(methylthio)phenyl]-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Formula: C18H21BrClNO2S MolecularWeight: 430.78684

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)SC)O)O)Cl.Br

Isomeric SMILES

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)SC)O)O)Cl.Br

InChI

InChI=1S/C18H20ClNO2S.BrH/c1-20-8-7-13-14(9-16(21)18(22)17(13)19)15(10-20)11-3-5-12(23-2)6-4-11;/h3-6,9,15,21-22H,7-8,10H2,1-2H3;1H