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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=NN=C1SCC(=O)O)CC

Isomeric SMILES

CCCC(C)N1C(=NN=C1SCC(=O)O)CC

InChI

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