2-(3-tert-butyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-2-[[4-(trifluoromethylsulfanyl)phenyl]amino]ethanenitrile

Systemtic Name: 2-(3-tert-butyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-2-[[4-(trifluoromethylsulfanyl)phenyl]amino]ethanenitrile Openeye Name: 2-(3-tert-butyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-2-[4-(trifluoromethylsulfanyl)anilino]acetonitrile CAS Name: 2-(3-tert-butyl-5-oxo-1-phenyl-4-pyrazolylidene)-2-[4-(trifluoromethylthio)anilino]acetonitrile IUPAC Name: 2-(3-tert-butyl-5-oxo-1-phenylpyrazol-4-ylidene)-2-[4-(trifluoromethylsulfanyl)anilino]acetonitrile Traditional Name: 2-(3-tert-butyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-2-[4-(trifluoromethylthio)anilino]acetonitrile Formula: C22H19F3N4OS MolecularWeight: 444.47267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1=C(C#N)NC2=CC=C(C=C2)SC(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C1=C(C#N)NC2=CC=C(C=C2)SC(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C22H19F3N4OS/c1-21(2,3)19-18(20(30)29(28-19)15-7-5-4-6-8-15)17(13-26)27-14-9-11-16(12-10-14)31-22(23,24)25/h4-12,27H,1-3H3