4-butan-2-ylsulfanyl-2,5,6-tris(fluoranyl)benzene-1,3-dicarbonitrile

Systemtic Name: 4-butan-2-ylsulfanyl-2,5,6-tris(fluoranyl)benzene-1,3-dicarbonitrile Openeye Name: 2,4,5-trifluoro-6-sec-butylsulfanyl-benzene-1,3-dicarbonitrile CAS Name: 4-(butan-2-ylthio)-2,5,6-trifluorobenzene-1,3-dicarbonitrile IUPAC Name: 4-butan-2-ylsulfanyl-2,5,6-trifluorobenzene-1,3-dicarbonitrile Traditional Name: 2,4,5-trifluoro-6-(sec-butylthio)isophthalonitrile Formula: C12H9F3N2S MolecularWeight: 270.27347

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C(=C(C(=C1F)F)C#N)F)C#N

Isomeric SMILES

CCC(C)SC1=C(C(=C(C(=C1F)F)C#N)F)C#N

InChI

InChI=1S/C12H9F3N2S/c1-3-6(2)18-12-8(5-17)9(13)7(4-16)10(14)11(12)15/h6H,3H2,1-2H3