5-(1-sulfanylpropan-2-yl)-1H-imidazole-4-carboxylic acid

Systemtic Name: 5-(1-sulfanylpropan-2-yl)-1H-imidazole-4-carboxylic acid Openeye Name: 5-(1-methyl-2-sulfanyl-ethyl)-1H-imidazole-4-carboxylic acid CAS Name: 5-(1-mercaptopropan-2-yl)-1H-imidazole-4-carboxylic acid IUPAC Name: 5-(1-sulfanylpropan-2-yl)-1H-imidazole-4-carboxylic acid Traditional Name: 5-(2-mercapto-1-methyl-ethyl)-1H-imidazole-4-carboxylic acid Formula: C7H10N2O2S MolecularWeight: 186.2315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C1=C(N=CN1)C(=O)O

Isomeric SMILES

CC(CS)C1=C(N=CN1)C(=O)O

InChI

InChI=1S/C7H10N2O2S/c1-4(2-12)5-6(7(10)11)9-3-8-5/h3-4,12H,2H2,1H3,(H,8,9)(H,10,11)