2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C14H17N3O4S/c1-4-17-13(15-16-14(17)22-8-12(18)19)9-5-6-10(20-2)11(7-9)21-3/h5-7H,4,8H2,1-3H3,(H,18,19)