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

Systemtic Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoranyl-pyrimidine-5-carbonitrile Openeye Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-pyrimidine-5-carbonitrile CAS Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoropyrimidine-5-carbonitrile Traditional Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-pyrimidine-5-carbonitrile Formula: C25H24FN3S2 MolecularWeight: 449.606563

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H24FN3S2/c1-2-3-4-17-15-30-25(31-16-17)21-11-7-19(8-12-21)18-5-9-20(10-6-18)24-28-14-22(13-27)23(26)29-24/h5-12,14,17,25H,2-4,15-16H2,1H3