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

Systemtic Name: ethyl 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-4-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4,4-difluorobut-3-enylsulfanyl)-4-phenyl-pyrimidine-5-carboxylate CAS Name: 2-(4,4-difluorobut-3-enylthio)-4-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4,4-difluorobut-3-enylsulfanyl)-4-phenylpyrimidine-5-carboxylate Traditional Name: 2-(4,4-difluorobut-3-enylthio)-4-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16F2N2O2S MolecularWeight: 350.382946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2)SCCC=C(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2)SCCC=C(F)F

InChI

InChI=1S/C17H16F2N2O2S/c1-2-23-16(22)13-11-20-17(24-10-6-9-14(18)19)21-15(13)12-7-4-3-5-8-12/h3-5,7-9,11H,2,6,10H2,1H3