3-methyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 3-methyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 3-methyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 3-methyl-9-(methylthio)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 3-methyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 3-methyl-9-(methylthio)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)SC

Isomeric SMILES

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)SC

InChI

InChI=1S/C18H21NO2S/c1-19-9-8-13-14(10-16(20)17(21)18(13)22-2)15(11-19)12-6-4-3-5-7-12/h3-7,10,15,20-21H,8-9,11H2,1-2H3