4-[2-(4-butylsulfanylphenyl)ethynyl]-1,2-bis(fluoranyl)benzene

Systemtic Name: 4-[2-(4-butylsulfanylphenyl)ethynyl]-1,2-bis(fluoranyl)benzene Openeye Name: 4-[2-(4-butylsulfanylphenyl)ethynyl]-1,2-difluoro-benzene CAS Name: 4-[2-[4-(butylthio)phenyl]ethynyl]-1,2-difluorobenzene IUPAC Name: 4-[2-(4-butylsulfanylphenyl)ethynyl]-1,2-difluorobenzene Traditional Name: 4-[2-[4-(butylthio)phenyl]ethynyl]-1,2-difluoro-benzene Formula: C18H16F2S MolecularWeight: 302.381446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F2S/c1-2-3-12-21-16-9-6-14(7-10-16)4-5-15-8-11-17(19)18(20)13-15/h6-11,13H,2-3,12H2,1H3