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

Systemtic Name: 2-[[4-ethyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-ethyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-ethyl-5-[(3-methyl-1-pyrazolyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-ethyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-ethyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H15N5O2S MolecularWeight: 281.3341

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)CN2C=CC(=N2)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)CN2C=CC(=N2)C

InChI

InChI=1S/C11H15N5O2S/c1-3-16-9(6-15-5-4-8(2)14-15)12-13-11(16)19-7-10(17)18/h4-5H,3,6-7H2,1-2H3,(H,17,18)