5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(1-methyl-2-imidazolyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(1-methylimidazol-2-yl)thio]methyl]-2-furoic acid Formula: C10H10N2O3S MolecularWeight: 238.263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CN1C=CN=C1SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C10H10N2O3S/c1-12-5-4-11-10(12)16-6-7-2-3-8(15-7)9(13)14/h2-5H,6H2,1H3,(H,13,14)