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

Systemtic Name: 3-(2-hydroxyethyl)-5-(4-methylsulfanylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 3-(2-hydroxyethyl)-5-(4-methylsulfanylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 3-(2-hydroxyethyl)-5-[4-(methylthio)phenyl]-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 3-(2-hydroxyethyl)-5-(4-methylsulfanylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 3-(2-hydroxyethyl)-5-[4-(methylthio)phenyl]-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2CN(CCC3=CC(=C(C=C23)O)O)CCO

Isomeric SMILES

CSC1=CC=C(C=C1)C2CN(CCC3=CC(=C(C=C23)O)O)CCO

InChI

InChI=1S/C19H23NO3S/c1-24-15-4-2-13(3-5-15)17-12-20(8-9-21)7-6-14-10-18(22)19(23)11-16(14)17/h2-5,10-11,17,21-23H,6-9,12H2,1H3