2-[1-(3-methylbutyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(3-methylbutyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-(1-isopentylimidazol-2-yl)sulfanylacetic acid CAS Name: 2-[[1-(3-methylbutyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-methylbutyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[(1-isoamylimidazol-2-yl)thio]acetic acid Formula: C10H16N2O2S MolecularWeight: 228.31124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=CN=C1SCC(=O)O

Isomeric SMILES

CC(C)CCN1C=CN=C1SCC(=O)O

InChI

InChI=1S/C10H16N2O2S/c1-8(2)3-5-12-6-4-11-10(12)15-7-9(13)14/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)