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

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C25H19N5O2S MolecularWeight: 453.51566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=C(C(=NN3C4=CC=CC=C4)C)C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=C(C(=NN3C4=CC=CC=C4)C)C#N)C5=CC=CC=C5

InChI

InChI=1S/C25H19N5O2S/c1-16-20-13-23(33-24(20)30(28-16)19-11-7-4-8-12-19)25(31)32-15-22-21(14-26)17(2)27-29(22)18-9-5-3-6-10-18/h3-13H,15H2,1-2H3