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

Systemtic Name: 2-[5-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[5-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[(1-benzyl-5-methylol-imidazol-2-yl)thio]acetic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CN=C2SCC(=O)O)CO

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CN=C2SCC(=O)O)CO

InChI

InChI=1S/C13H14N2O3S/c16-8-11-6-14-13(19-9-12(17)18)15(11)7-10-4-2-1-3-5-10/h1-6,16H,7-9H2,(H,17,18)