6-[1,1,2,2,3,3,4,4-octakis(fluoranyl)butyl]-4-phenyl-1H-pyrimidine-2-thione

Systemtic Name: 6-[1,1,2,2,3,3,4,4-octakis(fluoranyl)butyl]-4-phenyl-1H-pyrimidine-2-thione Openeye Name: 6-(1,1,2,2,3,3,4,4-octafluorobutyl)-4-phenyl-1H-pyrimidine-2-thione CAS Name: 6-(1,1,2,2,3,3,4,4-octafluorobutyl)-4-phenyl-1H-pyrimidine-2-thione IUPAC Name: 6-(1,1,2,2,3,3,4,4-octafluorobutyl)-4-phenyl-1H-pyrimidine-2-thione Traditional Name: 6-(1,1,2,2,3,3,4,4-octafluorobutyl)-4-phenyl-1H-pyrimidine-2-thione Formula: C14H8F8N2S MolecularWeight: 388.278946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=S)NC(=C2)C(C(C(C(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=S)NC(=C2)C(C(C(C(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C14H8F8N2S/c15-10(16)13(19,20)14(21,22)12(17,18)9-6-8(23-11(25)24-9)7-4-2-1-3-5-7/h1-6,10H,(H,23,24,25)