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

Systemtic Name: (4-cyano-2-methoxy-phenyl) 1-[(4-fluorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 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 (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 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 (4-cyano-2-methoxy-phenyl) ester Formula: C22H16FN3O3S MolecularWeight: 421.444143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC3=C(C=C(C=C3)C#N)OC)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC3=C(C=C(C=C3)C#N)OC)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O3S/c1-13-17-10-20(22(27)29-18-8-5-15(11-24)9-19(18)28-2)30-21(17)26(25-13)12-14-3-6-16(23)7-4-14/h3-10H,12H2,1-2H3