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

Systemtic Name: 1-cyanoethyl 3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 1-cyanoethyl 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 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 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 1-cyanoethyl ester Formula: C17H12F3N3O2S MolecularWeight: 379.35629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N3O2S/c1-9(8-21)25-16(24)14-7-13-10(2)22-23(15(13)26-14)12-5-3-4-11(6-12)17(18,19)20/h3-7,9H,1-2H3