6-bromanyl-3-methyl-9-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 6-bromanyl-3-methyl-9-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 6-bromo-3-methyl-9-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 6-bromo-3-methyl-9-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 6-bromo-3-methyl-9-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 6-bromo-3-methyl-9-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C17H18BrNO2S MolecularWeight: 380.29932

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(CC1)C(=C(C(=C2SC3=CC=CC=C3)O)O)Br

Isomeric SMILES

CN1CCC2=C(CC1)C(=C(C(=C2SC3=CC=CC=C3)O)O)Br

InChI

InChI=1S/C17H18BrNO2S/c1-19-9-7-12-13(8-10-19)17(16(21)15(20)14(12)18)22-11-5-3-2-4-6-11/h2-6,20-21H,7-10H2,1H3