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

Systemtic Name: 2-[[5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2-isopropoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-isopropoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C13H14N3O3S- MolecularWeight: 292.33356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C13H15N3O3S/c1-8(2)19-10-6-4-3-5-9(10)12-14-13(16-15-12)20-7-11(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)(H,14,15,16)/p-1