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

Systemtic Name: 2-[[4-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)O)OC

InChI

InChI=1S/C12H13N3O4S/c1-18-9-4-3-8(5-10(9)19-2)15-7-13-14-12(15)20-6-11(16)17/h3-5,7H,6H2,1-2H3,(H,16,17)