3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol; sulfuric acid

Systemtic Name: 3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol; sulfuric acid Openeye Name: 3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol; sulfuric acid CAS Name: 3-methyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepin-7-ol; sulfuric acid IUPAC Name: 3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol; sulfuric acid Traditional Name: 3-methyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepin-7-ol; sulfuric acid Formula: C17H21NO5S2 MolecularWeight: 383.48234

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(CC1)C(=C(C=C2)O)SC3=CC=CC=C3.OS(=O)(=O)O

Isomeric SMILES

CN1CCC2=C(CC1)C(=C(C=C2)O)SC3=CC=CC=C3.OS(=O)(=O)O

InChI

InChI=1S/C17H19NOS.H2O4S/c1-18-11-9-13-7-8-16(19)17(15(13)10-12-18)20-14-5-3-2-4-6-14;1-5(2,3)4/h2-8,19H,9-12H2,1H3;(H2,1,2,3,4)