3-(5-nitropyridin-2-yl)sulfanyl-1-piperazin-1-yl-propan-1-one

Systemtic Name: 3-(5-nitropyridin-2-yl)sulfanyl-1-piperazin-1-yl-propan-1-one Openeye Name: 3-[(5-nitro-2-pyridyl)sulfanyl]-1-piperazin-1-yl-propan-1-one CAS Name: 3-[(5-nitro-2-pyridinyl)thio]-1-(1-piperazinyl)-1-propanone IUPAC Name: 3-(5-nitropyridin-2-yl)sulfanyl-1-piperazin-1-ylpropan-1-one Traditional Name: 3-[(5-nitro-2-pyridyl)thio]-1-piperazino-propan-1-one Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)CCSC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C(=O)CCSC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O3S/c17-12(15-6-4-13-5-7-15)3-8-20-11-2-1-10(9-14-11)16(18)19/h1-2,9,13H,3-8H2