7,8-dimethoxy-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-9-carbaldehyde

Systemtic Name: 7,8-dimethoxy-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-9-carbaldehyde Openeye Name: 7,8-dimethoxy-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-9-carbaldehyde CAS Name: 7,8-dimethoxy-3-methyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-9-carboxaldehyde IUPAC Name: 7,8-dimethoxy-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-9-carbaldehyde Traditional Name: 7,8-dimethoxy-3-methyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-9-carbaldehyde Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=C(C(=C2CC1)SC3=CC=CC=C3)OC)OC)C=O

Isomeric SMILES

CN1CCC2=C(C(=C(C(=C2CC1)SC3=CC=CC=C3)OC)OC)C=O

InChI

InChI=1S/C20H23NO3S/c1-21-11-9-15-16(10-12-21)20(25-14-7-5-4-6-8-14)19(24-3)18(23-2)17(15)13-22/h4-8,13H,9-12H2,1-3H3