1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-chloranyl-phenyl]methyl]-2-(methoxymethyl)pyrrolidine

Systemtic Name: 1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-chloranyl-phenyl]methyl]-2-(methoxymethyl)pyrrolidine Openeye Name: 1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-chloro-phenyl]methyl]-2-(methoxymethyl)pyrrolidine CAS Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-chlorophenyl]methyl]-2-(methoxymethyl)pyrrolidine IUPAC Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-chlorophenyl]methyl]-2-(methoxymethyl)pyrrolidine Traditional Name: 1-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-chloro-benzyl]-2-(methoxymethyl)pyrrolidine Formula: C21H25BrClNO2S MolecularWeight: 470.8507

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN1CC2=C(C(=CC=C2)Cl)SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

COCC1CCCN1CC2=C(C(=CC=C2)Cl)SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H25BrClNO2S/c1-25-13-18-6-4-10-24(18)12-15-5-3-7-19(23)21(15)27-14-16-11-17(22)8-9-20(16)26-2/h3,5,7-9,11,18H,4,6,10,12-14H2,1-2H3