4-[(E)-2-[3,5-bis(fluoranyl)-4-isothiocyanato-phenyl]ethenyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-2-[3,5-bis(fluoranyl)-4-isothiocyanato-phenyl]ethenyl]benzenecarbonitrile Openeye Name: 4-[(E)-2-(3,5-difluoro-4-isothiocyanato-phenyl)vinyl]benzonitrile CAS Name: 4-[(E)-2-(3,5-difluoro-4-isothiocyanatophenyl)ethenyl]benzonitrile IUPAC Name: 4-[(E)-2-(3,5-difluoro-4-isothiocyanatophenyl)ethenyl]benzonitrile Traditional Name: 4-[(E)-2-(3,5-difluoro-4-isothiocyanato-phenyl)vinyl]benzonitrile Formula: C16H8F2N2S MolecularWeight: 298.309926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=CC(=C(C(=C2)F)N=C=S)F)C#N

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=CC(=C(C(=C2)F)N=C=S)F)C#N

InChI

InChI=1S/C16H8F2N2S/c17-14-7-13(8-15(18)16(14)20-10-21)6-3-11-1-4-12(9-19)5-2-11/h1-8H/b6-3+