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

Systemtic Name: 2-[[4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-pyridylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-pyridylmethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C10H9N4O2S- MolecularWeight: 249.26906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CN2C=NN=C2SCC(=O)[O-]

Isomeric SMILES

C1=CN=CC=C1CN2C=NN=C2SCC(=O)[O-]

InChI

InChI=1S/C10H10N4O2S/c15-9(16)6-17-10-13-12-7-14(10)5-8-1-3-11-4-2-8/h1-4,7H,5-6H2,(H,15,16)/p-1