2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-5-nitro-pyrimidine

Systemtic Name: 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-5-nitro-pyrimidine Openeye Name: 2-(4,4-difluorobut-3-enylsulfanyl)-5-nitro-pyrimidine CAS Name: 2-(4,4-difluorobut-3-enylthio)-5-nitropyrimidine IUPAC Name: 2-(4,4-difluorobut-3-enylsulfanyl)-5-nitropyrimidine Traditional Name: 2-(4,4-difluorobut-3-enylthio)-5-nitro-pyrimidine Formula: C8H7F2N3O2S MolecularWeight: 247.221886

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=N1)SCCC=C(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=NC(=N1)SCCC=C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C8H7F2N3O2S/c9-7(10)2-1-3-16-8-11-4-6(5-12-8)13(14)15/h2,4-5H,1,3H2