4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-(hydroxymethyl)-2-(methylthio)-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-(hydroxymethyl)-2-methylsulfanylimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-methylol-2-(methylthio)imidazol-1-yl]methyl]benzoic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CO

Isomeric SMILES

CSC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CO

InChI

InChI=1S/C13H14N2O3S/c1-19-13-14-6-11(8-16)15(13)7-9-2-4-10(5-3-9)12(17)18/h2-6,16H,7-8H2,1H3,(H,17,18)