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

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid [4-(2-cyanophenyl)benzyl] ester Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C#N)C

InChI

InChI=1S/C22H17N3O2S/c1-14-19-11-20(28-21(19)25(2)24-14)22(26)27-13-15-7-9-16(10-8-15)18-6-4-3-5-17(18)12-23/h3-11H,13H2,1-2H3