3-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[1-(difluoromethyl)-2-imidazolyl]methylthio]propanoic acid IUPAC Name: 3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[1-(difluoromethyl)imidazol-2-yl]methylthio]propionic acid Formula: C8H10F2N2O2S MolecularWeight: 236.239006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)CSCCC(=O)O)C(F)F

Isomeric SMILES

C1=CN(C(=N1)CSCCC(=O)O)C(F)F

InChI

InChI=1S/C8H10F2N2O2S/c9-8(10)12-3-2-11-6(12)5-15-4-1-7(13)14/h2-3,8H,1,4-5H2,(H,13,14)