4-[bis(fluoranyl)methyl]-6-(1-ethyl-5-methyl-pyrazol-4-yl)-2-ethylsulfonyl-pyrimidine

Systemtic Name: 4-[bis(fluoranyl)methyl]-6-(1-ethyl-5-methyl-pyrazol-4-yl)-2-ethylsulfonyl-pyrimidine Openeye Name: 4-(difluoromethyl)-6-(1-ethyl-5-methyl-pyrazol-4-yl)-2-ethylsulfonyl-pyrimidine CAS Name: 4-(difluoromethyl)-6-(1-ethyl-5-methyl-4-pyrazolyl)-2-ethylsulfonylpyrimidine IUPAC Name: 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-ethylsulfonylpyrimidine Traditional Name: 4-(difluoromethyl)-2-esyl-6-(1-ethyl-5-methyl-pyrazol-4-yl)pyrimidine Formula: C13H16F2N4O2S MolecularWeight: 330.353546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=CC(=NC(=N2)S(=O)(=O)CC)C(F)F)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=CC(=NC(=N2)S(=O)(=O)CC)C(F)F)C

InChI

InChI=1S/C13H16F2N4O2S/c1-4-19-8(3)9(7-16-19)10-6-11(12(14)15)18-13(17-10)22(20,21)5-2/h6-7,12H,4-5H2,1-3H3