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

Systemtic Name: 2-[[5-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C16H20N3O5S- MolecularWeight: 366.4121

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C16H21N3O5S/c1-4-22-11-7-10(8-12(23-5-2)14(11)24-6-3)15-17-16(19-18-15)25-9-13(20)21/h7-8H,4-6,9H2,1-3H3,(H,20,21)(H,17,18,19)/p-1