2-[[4-azanyl-5-(2,6-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-azanyl-5-(2,6-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(2,6-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(2,6-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(2,6-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(2,6-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C12H14N4O4S/c1-19-7-4-3-5-8(20-2)10(7)11-14-15-12(16(11)13)21-6-9(17)18/h3-5H,6,13H2,1-2H3,(H,17,18)