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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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