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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2Cl)CN3CCNCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2Cl)CN3CCNCC3

InChI

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