2-[2,6-bis(fluoranyl)phenyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanoic acid

Systemtic Name: 2-[2,6-bis(fluoranyl)phenyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanoic acid Openeye Name: 2-(2,6-difluorophenyl)-2-(4-methylpyrimidin-2-yl)sulfanyl-acetic acid CAS Name: 2-(2,6-difluorophenyl)-2-[(4-methyl-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(2,6-difluorophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-(2,6-difluorophenyl)-2-[(4-methylpyrimidin-2-yl)thio]acetic acid Formula: C13H10F2N2O2S MolecularWeight: 296.292506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC(C2=C(C=CC=C2F)F)C(=O)O

Isomeric SMILES

CC1=NC(=NC=C1)SC(C2=C(C=CC=C2F)F)C(=O)O

InChI

InChI=1S/C13H10F2N2O2S/c1-7-5-6-16-13(17-7)20-11(12(18)19)10-8(14)3-2-4-9(10)15/h2-6,11H,1H3,(H,18,19)