5-(4-methylsulfanylphenyl)-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

Systemtic Name: 5-(4-methylsulfanylphenyl)-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Openeye Name: 5-(4-methylsulfanylphenyl)-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CAS Name: 5-[4-(methylthio)phenyl]-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol IUPAC Name: 5-(4-methylsulfanylphenyl)-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Traditional Name: 5-[4-(methylthio)phenyl]-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Formula: C18H18F3NO2S MolecularWeight: 369.40123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3NO2S/c1-25-11-4-2-10(3-5-11)14-9-22-7-6-12-13(14)8-15(23)17(24)16(12)18(19,20)21/h2-5,8,14,22-24H,6-7,9H2,1H3