1-[4-(4-nitrophenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-(2-pyridylthio)ethanone Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C17H18N4O3S/c22-17(13-25-16-3-1-2-8-18-16)20-11-9-19(10-12-20)14-4-6-15(7-5-14)21(23)24/h1-8H,9-13H2