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

Systemtic Name: 2-[(4-methyl-5-pyridin-2-yl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-methyl-5-(2-pyridyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-methyl-5-(2-pyridinyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetic acid IUPAC Name: 2-[(4-methyl-5-pyridin-2-yl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[4-methyl-5-(2-pyridyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetic acid Formula: C10H11N4O2S+ MolecularWeight: 251.28494

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NN=C1SCC(=O)O)C2=CC=CC=N2

Isomeric SMILES

C[N+]1=C(NN=C1SCC(=O)O)C2=CC=CC=N2

InChI

InChI=1S/C10H10N4O2S/c1-14-9(7-4-2-3-5-11-7)12-13-10(14)17-6-8(15)16/h2-5H,6H2,1H3,(H,15,16)/p+1