2-[[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C13H14N3O4S- MolecularWeight: 308.33296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-2-19-9-3-5-10(6-4-9)20-7-11-14-13(16-15-11)21-8-12(17)18/h3-6H,2,7-8H2,1H3,(H,17,18)(H,14,15,16)/p-1