(2E)-2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-propylsulfonyl-ethanenitrile

Systemtic Name: (2E)-2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-propylsulfonyl-ethanenitrile Openeye Name: (1E)-N-[3,5-bis(trifluoromethyl)anilino]-1-propylsulfonyl-formimidoyl cyanide CAS Name: (2E)-2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-propylsulfonylacetonitrile IUPAC Name: (1E)-N-[3,5-bis(trifluoromethyl)anilino]-1-propylsulfonylmethanimidoyl cyanide Traditional Name: (2E)-2-[[3,5-bis(trifluoromethyl)phenyl]hydrazono]-2-propylsulfonyl-acetonitrile Formula: C13H11F6N3O2S MolecularWeight: 387.300759

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C(=NNC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C#N

Isomeric SMILES

CCCS(=O)(=O)/C(=N/NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)/C#N

InChI

InChI=1S/C13H11F6N3O2S/c1-2-3-25(23,24)11(7-20)22-21-10-5-8(12(14,15)16)4-9(6-10)13(17,18)19/h4-6,21H,2-3H2,1H3/b22-11+