2-[[5-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C8H9N5O2S MolecularWeight: 239.25436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=NC(=NN2)SCC(=O)O

Isomeric SMILES

CC1=CC(=NN1)C2=NC(=NN2)SCC(=O)O

InChI

InChI=1S/C8H9N5O2S/c1-4-2-5(11-10-4)7-9-8(13-12-7)16-3-6(14)15/h2H,3H2,1H3,(H,10,11)(H,14,15)(H,9,12,13)