1-[2-(4-methyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-(4-methyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(4-methyl-6-oxido-pyrimidin-2-yl)sulfanylethyl]triazole-4-carboxylate CAS Name: 1-[2-[(4-methyl-6-oxido-2-pyrimidinyl)thio]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(4-methyl-6-oxidopyrimidin-2-yl)sulfanylethyl]triazole-4-carboxylate Traditional Name: 1-[2-[(4-methyl-6-oxido-pyrimidin-2-yl)thio]ethyl]triazole-4-carboxylate Formula: C10H9N5O3S-2 MolecularWeight: 279.27516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCN2C=C(N=N2)C(=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCCN2C=C(N=N2)C(=O)[O-])[O-]

InChI

InChI=1S/C10H11N5O3S/c1-6-4-8(16)12-10(11-6)19-3-2-15-5-7(9(17)18)13-14-15/h4-5H,2-3H2,1H3,(H,17,18)(H,11,12,16)/p-2