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

Systemtic Name: 2-[(5-ethyl-4-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[(5-ethyl-4-pentan-3-yl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-ethyl-4-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H19N3O2S MolecularWeight: 257.35246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C(CC)CC)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C(CC)CC)SCC(=O)O

InChI

InChI=1S/C11H19N3O2S/c1-4-8(5-2)14-9(6-3)12-13-11(14)17-7-10(15)16/h8H,4-7H2,1-3H3,(H,15,16)