2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-4-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-4-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(4,4-difluorobut-3-enylsulfanyl)-4-phenyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4,4-difluorobut-3-enylthio)-4-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4,4-difluorobut-3-enylsulfanyl)-4-phenylpyrimidine-5-carboxylic acid Traditional Name: 2-(4,4-difluorobut-3-enylthio)-4-phenyl-pyrimidine-5-carboxylic acid Formula: C15H12F2N2O2S MolecularWeight: 322.329786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)O)SCCC=C(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)O)SCCC=C(F)F

InChI

InChI=1S/C15H12F2N2O2S/c16-12(17)7-4-8-22-15-18-9-11(14(20)21)13(19-15)10-5-2-1-3-6-10/h1-3,5-7,9H,4,8H2,(H,20,21)