1-(3-methylsulfanylphenyl)imidazole-4-carboxylic acid

Systemtic Name: 1-(3-methylsulfanylphenyl)imidazole-4-carboxylic acid Openeye Name: 1-(3-methylsulfanylphenyl)imidazole-4-carboxylic acid CAS Name: 1-[3-(methylthio)phenyl]-4-imidazolecarboxylic acid IUPAC Name: 1-(3-methylsulfanylphenyl)imidazole-4-carboxylic acid Traditional Name: 1-[3-(methylthio)phenyl]imidazole-4-carboxylic acid Formula: C11H10N2O2S MolecularWeight: 234.2743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2C=C(N=C2)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)N2C=C(N=C2)C(=O)O

InChI

InChI=1S/C11H10N2O2S/c1-16-9-4-2-3-8(5-9)13-6-10(11(14)15)12-7-13/h2-7H,1H3,(H,14,15)