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

Systemtic Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-5-ethyl-4-fluoranyl-pyrimidine Openeye Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-5-ethyl-4-fluoro-pyrimidine CAS Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-5-ethyl-4-fluoropyrimidine IUPAC Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-5-ethyl-4-fluoropyrimidine Traditional Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-5-ethyl-4-fluoro-pyrimidine Formula: C26H29FN2S2 MolecularWeight: 452.650263

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN2S2/c1-3-5-6-18-16-30-26(31-17-18)23-13-9-21(10-14-23)20-7-11-22(12-8-20)25-28-15-19(4-2)24(27)29-25/h7-15,18,26H,3-6,16-17H2,1-2H3