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

Systemtic Name: 9-methylsulfanyl-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 3-benzyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 9-(methylthio)-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 3-benzyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 3-benzyl-9-(methylthio)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C24H25NO2S MolecularWeight: 391.5258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2CCN(CC(C2=CC(=C1O)O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=C2CCN(CC(C2=CC(=C1O)O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25NO2S/c1-28-24-19-12-13-25(15-17-8-4-2-5-9-17)16-21(18-10-6-3-7-11-18)20(19)14-22(26)23(24)27/h2-11,14,21,26-27H,12-13,15-16H2,1H3