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

Systemtic Name: 2-[[4-(1-ethylpyrazol-4-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1-ethylpyrazol-4-yl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(1-ethyl-4-pyrazolyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(1-ethylpyrazol-4-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(1-ethylpyrazol-4-yl)-5-isopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O2S/c1-4-16-6-9(5-13-16)17-11(8(2)3)14-15-12(17)20-7-10(18)19/h5-6,8H,4,7H2,1-3H3,(H,18,19)