3-[[3,5-bis(fluoranyl)phenyl]methyl]-2-methylsulfanyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[[3,5-bis(fluoranyl)phenyl]methyl]-2-methylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 3-[(3,5-difluorophenyl)methyl]-2-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 3-[(3,5-difluorophenyl)methyl]-2-(methylthio)-4-imidazolecarboxylic acid IUPAC Name: 3-[(3,5-difluorophenyl)methyl]-2-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 3-(3,5-difluorobenzyl)-2-(methylthio)imidazole-4-carboxylic acid Formula: C12H10F2N2O2S MolecularWeight: 284.281806

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1CC2=CC(=CC(=C2)F)F)C(=O)O

Isomeric SMILES

CSC1=NC=C(N1CC2=CC(=CC(=C2)F)F)C(=O)O

InChI

InChI=1S/C12H10F2N2O2S/c1-19-12-15-5-10(11(17)18)16(12)6-7-2-8(13)4-9(14)3-7/h2-5H,6H2,1H3,(H,17,18)