1-(4-methylpiperazin-1-yl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanone hydrochloride

Systemtic Name: 1-(4-methylpiperazin-1-yl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanone hydrochloride Openeye Name: 1-(4-methylpiperazin-1-yl)-2-[(5-nitro-2-pyridyl)sulfanyl]ethanone hydrochloride CAS Name: 1-(4-methyl-1-piperazinyl)-2-[(5-nitro-2-pyridinyl)thio]ethanone hydrochloride IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone hydrochloride Traditional Name: 1-(4-methylpiperazino)-2-[(5-nitro-2-pyridyl)thio]ethanone hydrochloride Formula: C12H17ClN4O3S MolecularWeight: 332.80638

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=NC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=NC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C12H16N4O3S.ClH/c1-14-4-6-15(7-5-14)12(17)9-20-11-3-2-10(8-13-11)16(18)19;/h2-3,8H,4-7,9H2,1H3;1H