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

Systemtic Name: 2-methyl-4-[[2-(trifluoromethyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 2-methyl-4-[[2-(trifluoromethyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide CAS Name: 2-methyl-4-[[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]amino]-3-pyrazolecarboxamide IUPAC Name: 2-methyl-4-[[2-(trifluoromethyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide Traditional Name: 2-methyl-4-[[2-(trifluoromethyl)phenyl]thiocarbamoylamino]pyrazole-3-carboxamide Formula: C13H12F3N5OS MolecularWeight: 343.32749

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)NC(=S)NC2=CC=CC=C2C(F)(F)F)C(=O)N

Isomeric SMILES

CN1C(=C(C=N1)NC(=S)NC2=CC=CC=C2C(F)(F)F)C(=O)N

InChI

InChI=1S/C13H12F3N5OS/c1-21-10(11(17)22)9(6-18-21)20-12(23)19-8-5-3-2-4-7(8)13(14,15)16/h2-6H,1H3,(H2,17,22)(H2,19,20,23)