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

Systemtic Name: 2-[[5-ethyl-4-(1-ethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-(1-ethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-(1-ethyl-4-pyrazolyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-(1-ethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-(1-ethylpyrazol-4-yl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H15N5O2S MolecularWeight: 281.3341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CN(N=C2)CC)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C2=CN(N=C2)CC)SCC(=O)O

InChI

InChI=1S/C11H15N5O2S/c1-3-9-13-14-11(19-7-10(17)18)16(9)8-5-12-15(4-2)6-8/h5-6H,3-4,7H2,1-2H3,(H,17,18)