4,4-bis(fluoranyl)but-3-enylsulfanyl 4-phenylpyrimidine-5-carboxylate

Systemtic Name: 4,4-bis(fluoranyl)but-3-enylsulfanyl 4-phenylpyrimidine-5-carboxylate Openeye Name: 4,4-difluorobut-3-enylsulfanyl 4-phenylpyrimidine-5-carboxylate CAS Name: 4-phenyl-5-pyrimidinecarboxylic acid (4,4-difluorobut-3-enylthio) ester IUPAC Name: 4,4-difluorobut-3-enylsulfanyl 4-phenylpyrimidine-5-carboxylate Traditional Name: 4-phenylpyrimidine-5-carboxylic acid (4,4-difluorobut-3-enylthio) ester 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)OSCCC=C(F)F

Isomeric SMILES

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

InChI

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