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

Systemtic Name: 2-[[5-ethyl-4-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-(6-methoxy-3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-(6-methoxy-3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CN=C(C=C2)OC)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C2=CN=C(C=C2)OC)SCC(=O)O

InChI

InChI=1S/C12H14N4O3S/c1-3-9-14-15-12(20-7-11(17)18)16(9)8-4-5-10(19-2)13-6-8/h4-6H,3,7H2,1-2H3,(H,17,18)