1-[2-(4-oxidanidylpyrimidin-2-yl)sulfanylethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-(4-oxidanidylpyrimidin-2-yl)sulfanylethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(4-oxidopyrimidin-2-yl)sulfanylethyl]triazole-4-carboxylate CAS Name: 1-[2-[(4-oxido-2-pyrimidinyl)thio]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(4-oxidopyrimidin-2-yl)sulfanylethyl]triazole-4-carboxylate Traditional Name: 1-[2-[(4-oxidopyrimidin-2-yl)thio]ethyl]triazole-4-carboxylate Formula: C9H7N5O3S-2 MolecularWeight: 265.24858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1[O-])SCCN2C=C(N=N2)C(=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1[O-])SCCN2C=C(N=N2)C(=O)[O-]

InChI

InChI=1S/C9H9N5O3S/c15-7-1-2-10-9(11-7)18-4-3-14-5-6(8(16)17)12-13-14/h1-2,5H,3-4H2,(H,16,17)(H,10,11,15)/p-2