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

Systemtic Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide CAS Name: 1-methyl-4-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]-3-pyrazolecarboxamide IUPAC Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide Traditional Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]pyrazole-3-carboxamide Formula: C13H12F3N5OS MolecularWeight: 343.32749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

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