(5-bromanylpyridin-3-yl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-[2-(phenylthio)ethyl]-1-piperazinyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-[2-(phenylthio)ethyl]piperazino]methanone Formula: C18H20BrN3OS MolecularWeight: 406.3399

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=CC=CC=C2)C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1CN(CCN1CCSC2=CC=CC=C2)C(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H20BrN3OS/c19-16-12-15(13-20-14-16)18(23)22-8-6-21(7-9-22)10-11-24-17-4-2-1-3-5-17/h1-5,12-14H,6-11H2