[1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-chloranyl-phenyl]methyl]pyrrolidin-2-yl]methanol

Systemtic Name: [1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-chloranyl-phenyl]methyl]pyrrolidin-2-yl]methanol Openeye Name: [1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-chloro-phenyl]methyl]pyrrolidin-2-yl]methanol CAS Name: [1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-chlorophenyl]methyl]-2-pyrrolidinyl]methanol IUPAC Name: [1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-chlorophenyl]methyl]pyrrolidin-2-yl]methanol Traditional Name: [1-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-chloro-benzyl]pyrrolidin-2-yl]methanol Formula: C20H23BrClNO2S MolecularWeight: 456.82412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2Cl)CN3CCCC3CO

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2Cl)CN3CCCC3CO

InChI

InChI=1S/C20H23BrClNO2S/c1-25-19-8-7-16(21)10-15(19)13-26-20-14(4-2-6-18(20)22)11-23-9-3-5-17(23)12-24/h2,4,6-8,10,17,24H,3,5,9,11-13H2,1H3