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

Systemtic Name: 5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Openeye Name: 5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CAS Name: 5-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol IUPAC Name: 5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Traditional Name: 5-[4-(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=C(C=C1)C2CNCCC3=CC(=C(C=C23)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2CNCCC3=CC(=C(C=C23)O)O

InChI

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