1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-(diphenylmethyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-(diphenylmethyl)sulfanyl-ethanone Openeye Name: 2-benzhydrylsulfanyl-1-[4-(5-bromo-2-pyridyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-2-[(diphenylmethyl)thio]ethanone IUPAC Name: 2-benzhydrylsulfanyl-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzhydrylthio)-1-[4-(5-bromo-2-pyridyl)piperazino]ethanone Formula: C24H24BrN3OS MolecularWeight: 482.43586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H24BrN3OS/c25-21-11-12-22(26-17-21)27-13-15-28(16-14-27)23(29)18-30-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,24H,13-16,18H2