3-nitro-4-(trifluoromethylsulfanyl)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(trifluoromethylsulfanyl)benzenecarbonitrile Openeye Name: 3-nitro-4-(trifluoromethylsulfanyl)benzonitrile CAS Name: 3-nitro-4-(trifluoromethylthio)benzonitrile IUPAC Name: 3-nitro-4-(trifluoromethylsulfanyl)benzonitrile Traditional Name: 3-nitro-4-(trifluoromethylthio)benzonitrile Formula: C8H3F3N2O2S MolecularWeight: 248.18183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SC(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SC(F)(F)F

InChI

InChI=1S/C8H3F3N2O2S/c9-8(10,11)16-7-2-1-5(4-12)3-6(7)13(14)15/h1-3H