1-ethyl-4-[[2-(trifluoromethyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide

Systemtic Name: 1-ethyl-4-[[2-(trifluoromethyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 1-ethyl-4-[[2-(trifluoromethyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide CAS Name: 1-ethyl-4-[[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]amino]-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-4-[[2-(trifluoromethyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide Traditional Name: 1-ethyl-4-[[2-(trifluoromethyl)phenyl]thiocarbamoylamino]pyrazole-3-carboxamide Formula: C14H14F3N5OS MolecularWeight: 357.35407

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H14F3N5OS/c1-2-22-7-10(11(21-22)12(18)23)20-13(24)19-9-6-4-3-5-8(9)14(15,16)17/h3-7H,2H2,1H3,(H2,18,23)(H2,19,20,24)