2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-4-ethoxy-6-phenyl-pyrimidine

Systemtic Name: 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-4-ethoxy-6-phenyl-pyrimidine Openeye Name: 2-(4,4-difluorobut-3-enylsulfanyl)-4-ethoxy-6-phenyl-pyrimidine CAS Name: 2-(4,4-difluorobut-3-enylthio)-4-ethoxy-6-phenylpyrimidine IUPAC Name: 2-(4,4-difluorobut-3-enylsulfanyl)-4-ethoxy-6-phenylpyrimidine Traditional Name: 2-(4,4-difluorobut-3-enylthio)-4-ethoxy-6-phenyl-pyrimidine Formula: C16H16F2N2OS MolecularWeight: 322.372846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1)C2=CC=CC=C2)SCCC=C(F)F

Isomeric SMILES

CCOC1=NC(=NC(=C1)C2=CC=CC=C2)SCCC=C(F)F

InChI

InChI=1S/C16H16F2N2OS/c1-2-21-15-11-13(12-7-4-3-5-8-12)19-16(20-15)22-10-6-9-14(17)18/h3-5,7-9,11H,2,6,10H2,1H3