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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CN(N=C2)CC)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C2=CN(N=C2)CC)SCC(=O)O

InChI

InChI=1S/C12H17N5O2S/c1-3-5-10-14-15-12(20-8-11(18)19)17(10)9-6-13-16(4-2)7-9/h6-7H,3-5,8H2,1-2H3,(H,18,19)