3-methyl-5-methylsulfanyl-imidazole-4-carboxylic acid

Systemtic Name: 3-methyl-5-methylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 3-methyl-5-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 3-methyl-5-(methylthio)-4-imidazolecarboxylic acid IUPAC Name: 3-methyl-5-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 3-methyl-5-(methylthio)imidazole-4-carboxylic acid Formula: C6H8N2O2S MolecularWeight: 172.20492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1C(=O)O)SC

Isomeric SMILES

CN1C=NC(=C1C(=O)O)SC

InChI

InChI=1S/C6H8N2O2S/c1-8-3-7-5(11-2)4(8)6(9)10/h3H,1-2H3,(H,9,10)