(4-pyrazol-1-ylphenyl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)C

InChI

InChI=1S/C18H16N4O2S/c1-12-15-10-16(25-17(15)21(2)20-12)18(23)24-11-13-4-6-14(7-5-13)22-9-3-8-19-22/h3-10H,11H2,1-2H3