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

Systemtic Name: 2-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methoxymethyl]pyrrolidine Openeye Name: 2-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methoxymethyl]pyrrolidine CAS Name: 2-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methoxymethyl]pyrrolidine IUPAC Name: 2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methoxymethyl]pyrrolidine Traditional Name: 2-[[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]oxymethyl]pyrrolidine Formula: C20H24BrNO2S MolecularWeight: 422.37906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2COCC3CCCN3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2COCC3CCCN3

InChI

InChI=1S/C20H24BrNO2S/c1-23-19-9-8-17(21)11-16(19)14-25-20-7-3-2-5-15(20)12-24-13-18-6-4-10-22-18/h2-3,5,7-9,11,18,22H,4,6,10,12-14H2,1H3