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

Systemtic Name: 2-[[4-ethyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-ethyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-ethyl-5-(2-methyl-3-pyrazolyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-ethyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-ethyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C10H13N5O2S MolecularWeight: 267.30752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)C2=CC=NN2C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)C2=CC=NN2C

InChI

InChI=1S/C10H13N5O2S/c1-3-15-9(7-4-5-11-14(7)2)12-13-10(15)18-6-8(16)17/h4-5H,3,6H2,1-2H3,(H,16,17)