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

Systemtic Name: 2-[[5-[(2-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(2-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(2-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(2-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(2-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCC2=NC(=NN2)SCC(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1OCC2=NC(=NN2)SCC(=O)O

InChI

InChI=1S/C13H15N3O4S/c1-2-19-9-5-3-4-6-10(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)