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

Systemtic Name: N-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-chloranyl-phenyl]methyl]pyrrolidin-3-amine Openeye Name: N-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-chloro-phenyl]methyl]pyrrolidin-3-amine CAS Name: N-[[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-chlorophenyl]methyl]-3-pyrrolidinamine IUPAC Name: N-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-chlorophenyl]methyl]pyrrolidin-3-amine Traditional Name: [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)CNC3CCNC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2Cl)CNC3CCNC3

InChI

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