1-(2-pyrimidin-2-ylsulfanylethyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(2-pyrimidin-2-ylsulfanylethyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2-pyrimidin-2-ylsulfanylethyl)triazole-4-carboxylic acid CAS Name: 1-[2-(2-pyrimidinylthio)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-(2-pyrimidin-2-ylsulfanylethyl)triazole-4-carboxylic acid Traditional Name: 1-[2-(2-pyrimidylthio)ethyl]triazole-4-carboxylic acid Formula: C9H9N5O2S MolecularWeight: 251.26506

Click to see the large picture

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)