3-(2-methylsulfanylimidazol-1-yl)benzoic acid

Systemtic Name: 3-(2-methylsulfanylimidazol-1-yl)benzoic acid Openeye Name: 3-(2-methylsulfanylimidazol-1-yl)benzoic acid CAS Name: 3-[2-(methylthio)-1-imidazolyl]benzoic acid IUPAC Name: 3-(2-methylsulfanylimidazol-1-yl)benzoic acid Traditional Name: 3-[2-(methylthio)imidazol-1-yl]benzoic acid Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CN1C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CSC1=NC=CN1C2=CC=CC(=C2)C(=O)O

InChI

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