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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C=CC(=C2)OC)OC)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=C(C=CC(=C2)OC)OC)SCC(=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-8-14-15-13(21-7-12(17)18)16(8)10-6-9(19-2)4-5-11(10)20-3/h4-6H,7H2,1-3H3,(H,17,18)/p-1