2-(4-chloranyl-2-fluoranyl-5-pyrimidin-2-yloxy-phenyl)-5-methyl-1H-1,2,4-triazol-3-one

Systemtic Name: 2-(4-chloranyl-2-fluoranyl-5-pyrimidin-2-yloxy-phenyl)-5-methyl-1H-1,2,4-triazol-3-one Openeye Name: 2-(4-chloro-2-fluoro-5-pyrimidin-2-yloxy-phenyl)-5-methyl-1H-1,2,4-triazol-3-one CAS Name: 2-[4-chloro-2-fluoro-5-(2-pyrimidinyloxy)phenyl]-5-methyl-1H-1,2,4-triazol-3-one IUPAC Name: 2-(4-chloro-2-fluoro-5-pyrimidin-2-yloxyphenyl)-5-methyl-1H-1,2,4-triazol-3-one Traditional Name: 2-[4-chloro-2-fluoro-5-(2-pyrimidyloxy)phenyl]-5-methyl-1H-1,2,4-triazol-3-one Formula: C13H9ClFN5O2 MolecularWeight: 321.694263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(N1)C2=CC(=C(C=C2F)Cl)OC3=NC=CC=N3

Isomeric SMILES

CC1=NC(=O)N(N1)C2=CC(=C(C=C2F)Cl)OC3=NC=CC=N3

InChI

InChI=1S/C13H9ClFN5O2/c1-7-18-13(21)20(19-7)10-6-11(8(14)5-9(10)15)22-12-16-3-2-4-17-12/h2-6H,1H3,(H,18,19,21)