(E)-4,4,4-tris(fluoranyl)-2-[1,1,2,3,3,3-hexakis(fluoranyl)propylsulfanyl]-3-[(4-methoxyphenyl)amino]but-2-enenitrile

Systemtic Name: (E)-4,4,4-tris(fluoranyl)-2-[1,1,2,3,3,3-hexakis(fluoranyl)propylsulfanyl]-3-[(4-methoxyphenyl)amino]but-2-enenitrile Openeye Name: (E)-4,4,4-trifluoro-2-(1,1,2,3,3,3-hexafluoropropylsulfanyl)-3-(4-methoxyanilino)but-2-enenitrile CAS Name: (E)-4,4,4-trifluoro-2-(1,1,2,3,3,3-hexafluoropropylthio)-3-(4-methoxyanilino)-2-butenenitrile IUPAC Name: (E)-4,4,4-trifluoro-2-(1,1,2,3,3,3-hexafluoropropylsulfanyl)-3-(4-methoxyanilino)but-2-enenitrile Traditional Name: (E)-4,4,4-trifluoro-2-(1,1,2,3,3,3-hexafluoropropylthio)-3-(p-anisidino)but-2-enenitrile Formula: C14H9F9N2OS MolecularWeight: 424.284689

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=C(C#N)SC(C(C(F)(F)F)F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)N/C(=C(\C#N)/SC(C(C(F)(F)F)F)(F)F)/C(F)(F)F

InChI

InChI=1S/C14H9F9N2OS/c1-26-8-4-2-7(3-5-8)25-10(12(16,17)18)9(6-24)27-14(22,23)11(15)13(19,20)21/h2-5,11,25H,1H3/b10-9+