2-(1-pentan-2-ylimidazol-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(1-pentan-2-ylimidazol-2-yl)sulfanylethanoic acid Openeye Name: 2-[1-(1-methylbutyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[(1-pentan-2-yl-2-imidazolyl)thio]acetic acid IUPAC Name: 2-(1-pentan-2-ylimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[[1-(1-methylbutyl)imidazol-2-yl]thio]acetic acid Formula: C10H16N2O2S MolecularWeight: 228.31124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C=CN=C1SCC(=O)O

Isomeric SMILES

CCCC(C)N1C=CN=C1SCC(=O)O

InChI

InChI=1S/C10H16N2O2S/c1-3-4-8(2)12-6-5-11-10(12)15-7-9(13)14/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)