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

Systemtic Name: 2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N2C=NN=C2SCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)N2C=NN=C2SCC(=O)O

InChI

InChI=1S/C9H8N4O2S/c14-8(15)5-16-9-12-11-6-13(9)7-3-1-2-4-10-7/h1-4,6H,5H2,(H,14,15)