1-(2-pyrimidin-2-ylsulfanylethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(2-pyrimidin-2-ylsulfanylethyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(2-pyrimidin-2-ylsulfanylethyl)triazole-4-carboxylate CAS Name: 1-[2-(2-pyrimidinylthio)ethyl]-4-triazolecarboxylate IUPAC Name: 1-(2-pyrimidin-2-ylsulfanylethyl)triazole-4-carboxylate Traditional Name: 1-[2-(2-pyrimidylthio)ethyl]triazole-4-carboxylate Formula: C9H8N5O2S- MolecularWeight: 250.25712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N5O2S/c15-8(16)7-6-14(13-12-7)4-5-17-9-10-2-1-3-11-9/h1-3,6H,4-5H2,(H,15,16)/p-1