1-(2,4-dimethylphenyl)-5-[[3-(trifluoromethyl)phenyl]carbonylcarbamothioylamino]pyrazole-4-carboxamide

Systemtic Name: 1-(2,4-dimethylphenyl)-5-[[3-(trifluoromethyl)phenyl]carbonylcarbamothioylamino]pyrazole-4-carboxamide Openeye Name: 1-(2,4-dimethylphenyl)-5-[[3-(trifluoromethyl)benzoyl]carbamothioylamino]pyrazole-4-carboxamide CAS Name: 1-(2,4-dimethylphenyl)-5-[[[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]-4-pyrazolecarboxamide IUPAC Name: 1-(2,4-dimethylphenyl)-5-[[3-(trifluoromethyl)benzoyl]carbamothioylamino]pyrazole-4-carboxamide Traditional Name: 1-(2,4-dimethylphenyl)-5-[[3-(trifluoromethyl)benzoyl]thiocarbamoylamino]pyrazole-4-carboxamide Formula: C21H18F3N5O2S MolecularWeight: 461.46013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C3=CC(=CC=C3)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C3=CC(=CC=C3)C(F)(F)F)C

InChI

InChI=1S/C21H18F3N5O2S/c1-11-6-7-16(12(2)8-11)29-18(15(10-26-29)17(25)30)27-20(32)28-19(31)13-4-3-5-14(9-13)21(22,23)24/h3-10H,1-2H3,(H2,25,30)(H2,27,28,31,32)