1-(4-azanyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-azanyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-amino-2-oxido-furazan-2-ium-3-yl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C10H11N5O3S MolecularWeight: 281.29104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=[N+](ON=C2N)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=[N+](ON=C2N)[O-])C

InChI

InChI=1S/C10H11N5O3S/c1-5-3-6(2)13-10(12-5)19-4-7(16)8-9(11)14-18-15(8)17/h3H,4H2,1-2H3,(H2,11,14)