2-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methylsulfanyl]-5-chloranyl-pyrimidine-4-carboxylate

Systemtic Name: 2-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methylsulfanyl]-5-chloranyl-pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[[1-(difluoromethyl)-2-imidazolyl]methylthio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methylthio]pyrimidine-4-carboxylate Formula: C10H6ClF2N4O2S- MolecularWeight: 319.695046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)CSC2=NC=C(C(=N2)C(=O)[O-])Cl)C(F)F

Isomeric SMILES

C1=CN(C(=N1)CSC2=NC=C(C(=N2)C(=O)[O-])Cl)C(F)F

InChI

InChI=1S/C10H7ClF2N4O2S/c11-5-3-15-10(16-7(5)8(18)19)20-4-6-14-1-2-17(6)9(12)13/h1-3,9H,4H2,(H,18,19)/p-1