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

Systemtic Name: 2-[[1-(1-ethylpyrazol-4-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[1-(1-ethylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[[1-(1-ethyl-4-pyrazolyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-[1-(1-ethylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid Traditional Name: 2-[[1-(1-ethylpyrazol-4-yl)tetrazol-5-yl]thio]acetic acid Formula: C8H10N6O2S MolecularWeight: 254.269

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)N2C(=NN=N2)SCC(=O)O

Isomeric SMILES

CCN1C=C(C=N1)N2C(=NN=N2)SCC(=O)O

InChI

InChI=1S/C8H10N6O2S/c1-2-13-4-6(3-9-13)14-8(10-11-12-14)17-5-7(15)16/h3-4H,2,5H2,1H3,(H,15,16)