1-(3-nitrophenyl)-2-(2-sulfanylidenepiperidin-1-yl)ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-(2-sulfanylidenepiperidin-1-yl)ethanone Openeye Name: 1-(3-nitrophenyl)-2-(2-thioxo-1-piperidyl)ethanone CAS Name: 1-(3-nitrophenyl)-2-(2-sulfanylidene-1-piperidinyl)ethanone IUPAC Name: 1-(3-nitrophenyl)-2-(2-sulfanylidenepiperidin-1-yl)ethanone Traditional Name: 1-(3-nitrophenyl)-2-(2-thioxopiperidino)ethanone Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=S)C1)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(=S)C1)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O3S/c16-12(9-14-7-2-1-6-13(14)19)10-4-3-5-11(8-10)15(17)18/h3-5,8H,1-2,6-7,9H2