5-(4-chlorophenyl)-7-methoxy-9-(trifluoromethylsulfanyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

Systemtic Name: 5-(4-chlorophenyl)-7-methoxy-9-(trifluoromethylsulfanyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: 5-(4-chlorophenyl)-7-methoxy-9-(trifluoromethylsulfanyl)-2,3,4,5-tetrahydro-1H-3-benzazepine CAS Name: 5-(4-chlorophenyl)-7-methoxy-9-(trifluoromethylthio)-2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: 5-(4-chlorophenyl)-7-methoxy-9-(trifluoromethylsulfanyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: 5-(4-chlorophenyl)-7-methoxy-9-(trifluoromethylthio)-2,3,4,5-tetrahydro-1H-3-benzazepine Formula: C18H17ClF3NOS MolecularWeight: 387.84689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClF3NOS/c1-24-13-8-15-14(17(9-13)25-18(20,21)22)6-7-23-10-16(15)11-2-4-12(19)5-3-11/h2-5,8-9,16,23H,6-7,10H2,1H3