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

Systemtic Name: cyanomethyl 3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: cyanomethyl 3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-[3-(trifluoromethyl)phenyl]-5-thieno[2,3-c]pyrazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxylic acid cyanomethyl ester Formula: C16H10F3N3O2S MolecularWeight: 365.32971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC#N)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC#N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C16H10F3N3O2S/c1-9-12-8-13(15(23)24-6-5-20)25-14(12)22(21-9)11-4-2-3-10(7-11)16(17,18)19/h2-4,7-8H,6H2,1H3