1-[2-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methoxy]ethyl]pyrrolidine

Systemtic Name: 1-[2-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methoxy]ethyl]pyrrolidine Openeye Name: 1-[2-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methoxy]ethyl]pyrrolidine CAS Name: 1-[2-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methoxy]ethyl]pyrrolidine IUPAC Name: 1-[2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methoxy]ethyl]pyrrolidine Traditional Name: 1-[2-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]oxyethyl]pyrrolidine Formula: C21H26BrNO2S MolecularWeight: 436.40564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2COCCN3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2COCCN3CCCC3

InChI

InChI=1S/C21H26BrNO2S/c1-24-20-9-8-19(22)14-18(20)16-26-21-7-3-2-6-17(21)15-25-13-12-23-10-4-5-11-23/h2-3,6-9,14H,4-5,10-13,15-16H2,1H3