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

Systemtic Name: 2-[[4-(1-ethylpyrazol-4-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1-ethylpyrazol-4-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(1-ethyl-4-pyrazolyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(1-ethylpyrazol-4-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(1-ethylpyrazol-4-yl)-5-methyl-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=C(C=N1)N2C(=NN=C2SCC(=O)O)C

Isomeric SMILES

CCN1C=C(C=N1)N2C(=NN=C2SCC(=O)O)C

InChI

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