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

Systemtic Name: 2-ethyl-4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 2-ethyl-4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide CAS Name: 2-ethyl-4-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide Traditional Name: 2-ethyl-4-[[3-(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)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)C(=O)N

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)C(=O)N

InChI

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