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

Systemtic Name: 5-(2-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Openeye Name: 5-(2-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CAS Name: 5-[2-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol IUPAC Name: 5-(2-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Traditional Name: 5-[2-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Formula: C17H19NO2S MolecularWeight: 301.40326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2CNCCC3=CC(=C(C=C23)O)O

Isomeric SMILES

CSC1=CC=CC=C1C2CNCCC3=CC(=C(C=C23)O)O

InChI

InChI=1S/C17H19NO2S/c1-21-17-5-3-2-4-12(17)14-10-18-7-6-11-8-15(19)16(20)9-13(11)14/h2-5,8-9,14,18-20H,6-7,10H2,1H3