2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C12H13N4O3S- MolecularWeight: 293.32162

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)[O-])C2=CC=NC=C2

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)[O-])C2=CC=NC=C2

InChI

InChI=1S/C12H14N4O3S/c1-19-7-6-16-11(9-2-4-13-5-3-9)14-15-12(16)20-8-10(17)18/h2-5H,6-8H2,1H3,(H,17,18)/p-1