cyanomethyl 1-[(4-fluorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: cyanomethyl 1-[(4-fluorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: cyanomethyl 1-[(4-fluorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-[(4-fluorophenyl)methyl]-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-[(4-fluorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-fluorobenzyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid cyanomethyl ester Formula: C16H12FN3O2S MolecularWeight: 329.348783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC#N)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC#N)CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H12FN3O2S/c1-10-13-8-14(16(21)22-7-6-18)23-15(13)20(19-10)9-11-2-4-12(17)5-3-11/h2-5,8H,7,9H2,1H3