1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-4-pyridin-2-yl-piperazine

Systemtic Name: 1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-4-pyridin-2-yl-piperazine Openeye Name: 1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-4-(2-pyridyl)piperazine CAS Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methyl]-4-(2-pyridinyl)piperazine IUPAC Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methyl]-4-pyridin-2-ylpiperazine Traditional Name: 1-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]-4-(2-pyridyl)piperazine Formula: C24H26BrN3OS MolecularWeight: 484.45174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H26BrN3OS/c1-29-22-10-9-21(25)16-20(22)18-30-23-7-3-2-6-19(23)17-27-12-14-28(15-13-27)24-8-4-5-11-26-24/h2-11,16H,12-15,17-18H2,1H3