3-pyrimidin-2-ylsulfanyl-2,6-bis[2,2,2-tris(fluoranyl)ethoxy]benzenecarbonitrile

Systemtic Name: 3-pyrimidin-2-ylsulfanyl-2,6-bis[2,2,2-tris(fluoranyl)ethoxy]benzenecarbonitrile Openeye Name: 3-pyrimidin-2-ylsulfanyl-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile CAS Name: 3-(2-pyrimidinylthio)-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile IUPAC Name: 3-pyrimidin-2-ylsulfanyl-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile Traditional Name: 3-(2-pyrimidylthio)-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile Formula: C15H9F6N3O2S MolecularWeight: 409.306279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=C(C(=C(C=C2)OCC(F)(F)F)C#N)OCC(F)(F)F

Isomeric SMILES

C1=CN=C(N=C1)SC2=C(C(=C(C=C2)OCC(F)(F)F)C#N)OCC(F)(F)F

InChI

InChI=1S/C15H9F6N3O2S/c16-14(17,18)7-25-10-2-3-11(27-13-23-4-1-5-24-13)12(9(10)6-22)26-8-15(19,20)21/h1-5H,7-8H2