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

Systemtic Name: 7,8-dimethoxy-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: 7,8-dimethoxy-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine CAS Name: 7,8-dimethoxy-5-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: 7,8-dimethoxy-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: 7,8-dimethoxy-5-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine Formula: C19H23NO2S MolecularWeight: 329.45642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(CNCCC2=C1)C3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=C(C=C2C(CNCCC2=C1)C3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C19H23NO2S/c1-21-18-10-14-8-9-20-12-17(16(14)11-19(18)22-2)13-4-6-15(23-3)7-5-13/h4-7,10-11,17,20H,8-9,12H2,1-3H3