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

Systemtic Name: 2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C9H7N4O2S- MolecularWeight: 235.24248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)N2C=NN=C2SCC(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)N2C=NN=C2SCC(=O)[O-]

InChI

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