1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]pyrrolidin-3-ol

Systemtic Name: 1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]pyrrolidin-3-ol Openeye Name: 1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]pyrrolidin-3-ol CAS Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methyl]-3-pyrrolidinol IUPAC Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methyl]pyrrolidin-3-ol Traditional Name: 1-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]pyrrolidin-3-ol Formula: C19H22BrNO2S MolecularWeight: 408.35248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCC(C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCC(C3)O

InChI

InChI=1S/C19H22BrNO2S/c1-23-18-7-6-16(20)10-15(18)13-24-19-5-3-2-4-14(19)11-21-9-8-17(22)12-21/h2-7,10,17,22H,8-9,11-13H2,1H3