[3-(trifluoromethyl)phenyl]methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [3-(trifluoromethyl)benzyl] ester Formula: C21H15F3N2O2S MolecularWeight: 416.41621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C21H15F3N2O2S/c1-13-17-11-18(29-19(17)26(25-13)16-8-3-2-4-9-16)20(27)28-12-14-6-5-7-15(10-14)21(22,23)24/h2-11H,12H2,1H3