5-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(1,4,5-trimethyl-2-imidazolyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(1,4,5-trimethylimidazol-2-yl)thio]methyl]-2-furoic acid Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC2=CC=C(O2)C(=O)O)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC2=CC=C(O2)C(=O)O)C)C

InChI

InChI=1S/C12H14N2O3S/c1-7-8(2)14(3)12(13-7)18-6-9-4-5-10(17-9)11(15)16/h4-5H,6H2,1-3H3,(H,15,16)