ethyl 5-[[3-(trifluoromethyl)phenyl]carbamothioylamino]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[3-(trifluoromethyl)phenyl]carbamothioylamino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[3-(trifluoromethyl)phenyl]carbamothioylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(trifluoromethyl)phenyl]carbamothioylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C14H13F3N4O2S MolecularWeight: 358.33883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C14H13F3N4O2S/c1-2-23-12(22)10-7-18-21-11(10)20-13(24)19-9-5-3-4-8(6-9)14(15,16)17/h3-7H,2H2,1H3,(H3,18,19,20,21,24)