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

Systemtic Name: 1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-chloranyl-phenyl]methyl]pyrrolidin-3-amine Openeye Name: 1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-chloro-phenyl]methyl]pyrrolidin-3-amine CAS Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-chlorophenyl]methyl]-3-pyrrolidinamine IUPAC Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-chlorophenyl]methyl]pyrrolidin-3-amine Traditional Name: [1-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-chloro-benzyl]pyrrolidin-3-yl]amine Formula: C19H22BrClN2OS MolecularWeight: 441.81278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2Cl)CN3CCC(C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2Cl)CN3CCC(C3)N

InChI

InChI=1S/C19H22BrClN2OS/c1-24-18-6-5-15(20)9-14(18)12-25-19-13(3-2-4-17(19)21)10-23-8-7-16(22)11-23/h2-6,9,16H,7-8,10-12,22H2,1H3