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

Systemtic Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoranyl-5-pentyl-pyrimidine Openeye Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-5-pentyl-pyrimidine CAS Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-5-pentylpyrimidine IUPAC Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-5-pentylpyrimidine Traditional Name: 5-amyl-2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-pyrimidine Formula: C29H35FN2S2 MolecularWeight: 494.730003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1F)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CCCC

Isomeric SMILES

CCCCCC1=CN=C(N=C1F)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CCCC

InChI

InChI=1S/C29H35FN2S2/c1-3-5-7-9-26-18-31-28(32-27(26)30)24-14-10-22(11-15-24)23-12-16-25(17-13-23)29-33-19-21(20-34-29)8-6-4-2/h10-18,21,29H,3-9,19-20H2,1-2H3