2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-[4-(2-pyridyl)piperazin-1-yl]quinoxaline CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-[4-(2-pyridinyl)-1-piperazinyl]quinoxaline IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-[4-(2-pyridyl)piperazino]quinoxaline Formula: C25H24BrN5OS MolecularWeight: 522.45996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C25H24BrN5OS/c1-32-22-10-9-19(26)16-18(22)17-33-25-24(28-20-6-2-3-7-21(20)29-25)31-14-12-30(13-15-31)23-8-4-5-11-27-23/h2-11,16H,12-15,17H2,1H3