6,9-bis(methylsulfanyl)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

Systemtic Name: 6,9-bis(methylsulfanyl)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Openeye Name: 6,9-bis(methylsulfanyl)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CAS Name: 6,9-bis(methylthio)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol IUPAC Name: 6,9-bis(methylsulfanyl)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Traditional Name: 6,9-bis(methylthio)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Formula: C18H21NO2S2 MolecularWeight: 347.49484

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(C2=C1CCNCC2C3=CC=CC=C3)SC)O)O

Isomeric SMILES

CSC1=C(C(=C(C2=C1CCNCC2C3=CC=CC=C3)SC)O)O

InChI

InChI=1S/C18H21NO2S2/c1-22-17-12-8-9-19-10-13(11-6-4-3-5-7-11)14(12)18(23-2)16(21)15(17)20/h3-7,13,19-21H,8-10H2,1-2H3