2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]pyrimidine-4-carboxylic acid

Systemtic Name: 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]pyrimidine-4-carboxylic acid Openeye Name: 2-(4,4-difluorobut-3-enylsulfanyl)pyrimidine-4-carboxylic acid CAS Name: 2-(4,4-difluorobut-3-enylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 2-(4,4-difluorobut-3-enylsulfanyl)pyrimidine-4-carboxylic acid Traditional Name: 2-(4,4-difluorobut-3-enylthio)pyrimidine-4-carboxylic acid Formula: C9H8F2N2O2S MolecularWeight: 246.233826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1C(=O)O)SCCC=C(F)F

Isomeric SMILES

C1=CN=C(N=C1C(=O)O)SCCC=C(F)F

InChI

InChI=1S/C9H8F2N2O2S/c10-7(11)2-1-5-16-9-12-4-3-6(13-9)8(14)15/h2-4H,1,5H2,(H,14,15)