4-[2-(3-fluoranyl-5-pyridin-3-yloxy-phenyl)ethynyl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 4-[2-(3-fluoranyl-5-pyridin-3-yloxy-phenyl)ethynyl]-2-methylsulfanyl-pyrimidine Openeye Name: 4-[2-[3-fluoro-5-(3-pyridyloxy)phenyl]ethynyl]-2-methylsulfanyl-pyrimidine CAS Name: 4-[2-[3-fluoro-5-(3-pyridinyloxy)phenyl]ethynyl]-2-(methylthio)pyrimidine IUPAC Name: 4-[2-(3-fluoro-5-pyridin-3-yloxyphenyl)ethynyl]-2-methylsulfanylpyrimidine Traditional Name: 4-[2-[3-fluoro-5-(3-pyridyloxy)phenyl]ethynyl]-2-(methylthio)pyrimidine Formula: C18H12FN3OS MolecularWeight: 337.370783

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C#CC2=CC(=CC(=C2)F)OC3=CN=CC=C3

Isomeric SMILES

CSC1=NC=CC(=N1)C#CC2=CC(=CC(=C2)F)OC3=CN=CC=C3

InChI

InChI=1S/C18H12FN3OS/c1-24-18-21-8-6-15(22-18)5-4-13-9-14(19)11-17(10-13)23-16-3-2-7-20-12-16/h2-3,6-12H,1H3