4-[2-(4-butylsulfanylphenyl)ethynyl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[2-(4-butylsulfanylphenyl)ethynyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[2-(4-butylsulfanylphenyl)ethynyl]-2-fluoro-benzonitrile CAS Name: 4-[2-[4-(butylthio)phenyl]ethynyl]-2-fluorobenzonitrile IUPAC Name: 4-[2-(4-butylsulfanylphenyl)ethynyl]-2-fluorobenzonitrile Traditional Name: 4-[2-[4-(butylthio)phenyl]ethynyl]-2-fluoro-benzonitrile Formula: C19H16FNS MolecularWeight: 309.400443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C#N)F

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C19H16FNS/c1-2-3-12-22-18-10-7-15(8-11-18)4-5-16-6-9-17(14-21)19(20)13-16/h6-11,13H,2-3,12H2,1H3