5-butyl-2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoranyl-pyrimidine

Systemtic Name: 5-butyl-2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoranyl-pyrimidine Openeye Name: 5-butyl-2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-pyrimidine CAS Name: 5-butyl-2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoropyrimidine IUPAC Name: 5-butyl-2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoropyrimidine Traditional Name: 5-butyl-2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-pyrimidine Formula: C28H33FN2S2 MolecularWeight: 480.703423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CSC(SC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=NC=C(C(=N4)F)CCCC

Isomeric SMILES

CCCCC1CSC(SC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=NC=C(C(=N4)F)CCCC

InChI

InChI=1S/C28H33FN2S2/c1-3-5-7-20-18-32-28(33-19-20)24-15-11-22(12-16-24)21-9-13-23(14-10-21)27-30-17-25(8-6-4-2)26(29)31-27/h9-17,20,28H,3-8,18-19H2,1-2H3