2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanylethanoic acid Openeye Name: 2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanylacetic acid CAS Name: 2-[(1-ethyl-5-phenyl-2-imidazolyl)thio]acetic acid IUPAC Name: 2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[(1-ethyl-5-phenyl-imidazol-2-yl)thio]acetic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2S/c1-2-15-11(10-6-4-3-5-7-10)8-14-13(15)18-9-12(16)17/h3-8H,2,9H2,1H3,(H,16,17)