2-[4-(5-nitropyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-(5-nitropyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-(5-nitropyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(5-nitro-1-pyrazolyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-(5-nitropyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(5-nitropyrazol-1-yl)pyrimidin-2-yl]thio]acetate Formula: C9H6N5O4S- MolecularWeight: 280.24004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1N2C(=CC=N2)[N+](=O)[O-])SCC(=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1N2C(=CC=N2)[N+](=O)[O-])SCC(=O)[O-]

InChI

InChI=1S/C9H7N5O4S/c15-8(16)5-19-9-10-3-1-6(12-9)13-7(14(17)18)2-4-11-13/h1-4H,5H2,(H,15,16)/p-1