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

Systemtic Name: 9-chloranyl-7,8-dimethoxy-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: 9-chloro-7,8-dimethoxy-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine CAS Name: 9-chloro-7,8-dimethoxy-5-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: 9-chloro-7,8-dimethoxy-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: 9-chloro-7,8-dimethoxy-5-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine Formula: C19H22ClNO2S MolecularWeight: 363.90148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO2S/c1-22-17-10-15-14(18(20)19(17)23-2)8-9-21-11-16(15)12-4-6-13(24-3)7-5-12/h4-7,10,16,21H,8-9,11H2,1-3H3