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

Systemtic Name: 7,8-dimethoxy-5-(4-methylsulfanylphenyl)-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: 7,8-dimethoxy-5-(4-methylsulfanylphenyl)-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine CAS Name: 7,8-dimethoxy-5-[4-(methylthio)phenyl]-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: 7,8-dimethoxy-5-(4-methylsulfanylphenyl)-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: 7,8-dimethoxy-5-[4-(methylthio)phenyl]-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Formula: C20H22F3NO2S MolecularWeight: 397.45439

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CCNCC(C2=C1)C3=CC=C(C=C3)SC)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C(=C2CCNCC(C2=C1)C3=CC=C(C=C3)SC)C(F)(F)F)OC

InChI

InChI=1S/C20H22F3NO2S/c1-25-17-10-15-14(18(19(17)26-2)20(21,22)23)8-9-24-11-16(15)12-4-6-13(27-3)7-5-12/h4-7,10,16,24H,8-9,11H2,1-3H3