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

Systemtic Name: 4-[4-[2-(5-butyl-1,3-dithian-2-yl)ethyl]phenyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-[2-(5-butyl-1,3-dithian-2-yl)ethyl]phenyl]-3-fluoro-benzonitrile CAS Name: 4-[4-[2-(5-butyl-1,3-dithian-2-yl)ethyl]phenyl]-3-fluorobenzonitrile IUPAC Name: 4-[4-[2-(5-butyl-1,3-dithian-2-yl)ethyl]phenyl]-3-fluorobenzonitrile Traditional Name: 4-[4-[2-(5-butyl-1,3-dithian-2-yl)ethyl]phenyl]-3-fluoro-benzonitrile Formula: C23H26FNS2 MolecularWeight: 399.587643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CSC(SC1)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCCCC1CSC(SC1)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C23H26FNS2/c1-2-3-4-19-15-26-23(27-16-19)12-8-17-5-9-20(10-6-17)21-11-7-18(14-25)13-22(21)24/h5-7,9-11,13,19,23H,2-4,8,12,15-16H2,1H3