5-tert-butyl-2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyrazole-3-carboxamide CAS Name: 5-tert-butyl-2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyrazole-3-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Formula: C22H29F3N4O2S MolecularWeight: 470.55147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=NN2C)C(C)(C)C)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=NN2C)C(C)(C)C)C(F)(F)F

InChI

InChI=1S/C22H29F3N4O2S/c1-6-7-8-11-31-17-10-9-14(12-15(17)22(23,24)25)26-20(32)27-19(30)16-13-18(21(2,3)4)28-29(16)5/h9-10,12-13H,6-8,11H2,1-5H3,(H2,26,27,30,32)