(4E)-3-methyl-5-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]hydrazinylidene]pyrazole-1-carbothioamide

Systemtic Name: (4E)-3-methyl-5-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]hydrazinylidene]pyrazole-1-carbothioamide Openeye Name: (4E)-3-methyl-5-oxo-4-[[2-(trifluoromethyl)phenyl]hydrazono]pyrazole-1-carbothioamide CAS Name: (4E)-3-methyl-5-oxo-4-[[2-(trifluoromethyl)phenyl]hydrazinylidene]-1-pyrazolecarbothioamide IUPAC Name: (4E)-3-methyl-5-oxo-4-[[2-(trifluoromethyl)phenyl]hydrazinylidene]pyrazole-1-carbothioamide Traditional Name: (4E)-5-keto-3-methyl-4-[[2-(trifluoromethyl)phenyl]hydrazono]-2-pyrazoline-1-carbothioamide Formula: C12H10F3N5OS MolecularWeight: 329.30091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=CC=C2C(F)(F)F)C(=S)N

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=CC=C2C(F)(F)F)C(=S)N

InChI

InChI=1S/C12H10F3N5OS/c1-6-9(10(21)20(19-6)11(16)22)18-17-8-5-3-2-4-7(8)12(13,14)15/h2-5,17H,1H3,(H2,16,22)/b18-9+