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

Systemtic Name: 2-[[4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C14H16N3O5S- MolecularWeight: 338.35894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C14H17N3O5S/c1-17-13(15-16-14(17)23-7-11(18)19)8-5-9(20-2)12(22-4)10(6-8)21-3/h5-6H,7H2,1-4H3,(H,18,19)/p-1