2-[1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[2-(4-fluorophenyl)ethyl]-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]thio]acetic acid Formula: C13H13FN2O2S MolecularWeight: 280.317923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN2C=CN=C2SCC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CCN2C=CN=C2SCC(=O)O)F

InChI

InChI=1S/C13H13FN2O2S/c14-11-3-1-10(2-4-11)5-7-16-8-6-15-13(16)19-9-12(17)18/h1-4,6,8H,5,7,9H2,(H,17,18)