2-[[5-(4-ethoxy-3,5-dimethoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(4-ethoxy-3,5-dimethoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-ethoxy-3,5-dimethoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-ethoxy-3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-ethoxy-3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-ethoxy-3,5-dimethoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1OC)C2=NC(=NN2)SCC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1OC)C2=NC(=NN2)SCC(=O)O)OC

InChI

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