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

Systemtic Name: 2-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(methylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(methylthio)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3S/c1-20-10-13(17)15-8-6-14(7-9-15)11-2-4-12(5-3-11)16(18)19/h2-5H,6-10H2,1H3