1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-(2-pyridylthio)ethanone Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O3S/c18-13-4-5-14(15(11-13)22(24)25)20-7-9-21(10-8-20)17(23)12-26-16-3-1-2-6-19-16/h1-6,11H,7-10,12H2