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

Systemtic Name: 3-phenacylsulfanyl-2,6-bis[2,2,2-tris(fluoranyl)ethoxy]benzenecarbonitrile Openeye Name: 3-phenacylsulfanyl-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile CAS Name: 3-(phenacylthio)-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile IUPAC Name: 3-phenacylsulfanyl-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile Traditional Name: 3-(phenacylthio)-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile Formula: C19H13F6NO3S MolecularWeight: 449.366839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=C(C(=C(C=C2)OCC(F)(F)F)C#N)OCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=C(C(=C(C=C2)OCC(F)(F)F)C#N)OCC(F)(F)F

InChI

InChI=1S/C19H13F6NO3S/c20-18(21,22)10-28-15-6-7-16(17(13(15)8-26)29-11-19(23,24)25)30-9-14(27)12-4-2-1-3-5-12/h1-7H,9-11H2