2-(1-pentylimidazol-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(1-pentylimidazol-2-yl)sulfanylethanoic acid Openeye Name: 2-(1-pentylimidazol-2-yl)sulfanylacetic acid CAS Name: 2-[(1-pentyl-2-imidazolyl)thio]acetic acid IUPAC Name: 2-(1-pentylimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[(1-amylimidazol-2-yl)thio]acetic acid Formula: C10H16N2O2S MolecularWeight: 228.31124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=CN=C1SCC(=O)O

Isomeric SMILES

CCCCCN1C=CN=C1SCC(=O)O

InChI

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