1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine

Systemtic Name: 1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine Openeye Name: 1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine CAS Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methyl]-2-(1-pyrrolidinylmethyl)pyrrolidine IUPAC Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine Traditional Name: 1-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]-2-(pyrrolidinomethyl)pyrrolidine Formula: C24H31BrN2OS MolecularWeight: 475.48474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCCC3CN4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCCC3CN4CCCC4

InChI

InChI=1S/C24H31BrN2OS/c1-28-23-11-10-21(25)15-20(23)18-29-24-9-3-2-7-19(24)16-27-14-6-8-22(27)17-26-12-4-5-13-26/h2-3,7,9-11,15,22H,4-6,8,12-14,16-18H2,1H3