pyridin-2-ylmethyl 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: pyridin-2-ylmethyl 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 2-pyridylmethyl 3-methyl-1-(p-tolylmethyl)thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-[(4-methylphenyl)methyl]-5-thieno[2,3-c]pyrazolecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-(4-methylbenzyl)thieno[2,3-c]pyrazole-5-carboxylic acid 2-pyridylmethyl ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)OCC4=CC=CC=N4)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)OCC4=CC=CC=N4)C(=N2)C

InChI

InChI=1S/C21H19N3O2S/c1-14-6-8-16(9-7-14)12-24-20-18(15(2)23-24)11-19(27-20)21(25)26-13-17-5-3-4-10-22-17/h3-11H,12-13H2,1-2H3