methyl N-cyano-4-(5-nitropyridin-2-yl)piperazine-1-carboximidothioate

Systemtic Name: methyl N-cyano-4-(5-nitropyridin-2-yl)piperazine-1-carboximidothioate Openeye Name: methyl N-cyano-4-(5-nitro-2-pyridyl)piperazine-1-carboximidothioate CAS Name: N-cyano-4-(5-nitro-2-pyridinyl)-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl N-cyano-4-(5-nitropyridin-2-yl)piperazine-1-carboximidothioate Traditional Name: N-cyano-4-(5-nitro-2-pyridyl)piperazine-1-carboximidothioic acid methyl ester Formula: C12H14N6O2S MolecularWeight: 306.34356

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC#N)N1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC(=NC#N)N1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O2S/c1-21-12(15-9-13)17-6-4-16(5-7-17)11-3-2-10(8-14-11)18(19)20/h2-3,8H,4-7H2,1H3