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

Systemtic Name: 2-[[4-ethyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-ethyl-5-(5-methylisoxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-ethyl-5-(5-methyl-3-isoxazolyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-ethyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-ethyl-5-(5-methylisoxazol-3-yl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C10H12N4O3S MolecularWeight: 268.29228

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)C2=NOC(=C2)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)C2=NOC(=C2)C

InChI

InChI=1S/C10H12N4O3S/c1-3-14-9(7-4-6(2)17-13-7)11-12-10(14)18-5-8(15)16/h4H,3,5H2,1-2H3,(H,15,16)