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

Systemtic Name: (4E)-5-oxidanylidene-3-phenyl-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]pyrazole-1-carbothioamide Openeye Name: (4E)-5-oxo-3-phenyl-4-[[3-(trifluoromethyl)phenyl]hydrazono]pyrazole-1-carbothioamide CAS Name: (4E)-5-oxo-3-phenyl-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-1-pyrazolecarbothioamide IUPAC Name: (4E)-5-oxo-3-phenyl-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]pyrazole-1-carbothioamide Traditional Name: (4E)-5-keto-3-phenyl-4-[[3-(trifluoromethyl)phenyl]hydrazono]-2-pyrazoline-1-carbothioamide Formula: C17H12F3N5OS MolecularWeight: 391.37029

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=CC=CC(=C3)C(F)(F)F)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)C\2=NN(C(=O)/C2=N/NC3=CC=CC(=C3)C(F)(F)F)C(=S)N

InChI

InChI=1S/C17H12F3N5OS/c18-17(19,20)11-7-4-8-12(9-11)22-23-14-13(10-5-2-1-3-6-10)24-25(15(14)26)16(21)27/h1-9,22H,(H2,21,27)/b23-14+