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

Systemtic Name: 2-[[4-(1-ethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1-ethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(1-ethyl-4-pyrazolyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(1-ethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(1-ethylpyrazol-4-yl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N5O2S/c1-2-13-4-7(3-11-13)14-6-10-12-9(14)17-5-8(15)16/h3-4,6H,2,5H2,1H3,(H,15,16)