2-(4-nitrophenyl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-nitrophenyl)thio]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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