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

Systemtic Name: 2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(5-o-phenetyl-1H-1,2,4-triazol-3-yl)thio]acetate Formula: C12H12N3O3S- MolecularWeight: 278.30698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C12H13N3O3S/c1-2-18-9-6-4-3-5-8(9)11-13-12(15-14-11)19-7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17)(H,13,14,15)/p-1