5-(4-methylsulfanylphenyl)-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2CN(CCC3=CC(=C(C=C23)O)O)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C2CN(CCC3=CC(=C(C=C23)O)O)CC4=CC=CC=C4

InChI

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