2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-butyl-5-(hydroxymethyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[(1-butyl-5-methylol-imidazol-2-yl)thio]acetic acid Formula: C10H16N2O3S MolecularWeight: 244.31064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1SCC(=O)O)CO

Isomeric SMILES

CCCCN1C(=CN=C1SCC(=O)O)CO

InChI

InChI=1S/C10H16N2O3S/c1-2-3-4-12-8(6-13)5-11-10(12)16-7-9(14)15/h5,13H,2-4,6-7H2,1H3,(H,14,15)