[4-(cyanomethyl)phenyl] 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O2S/c1-15-19-13-20(22(26)27-18-9-7-16(8-10-18)11-12-23)28-21(19)25(24-15)14-17-5-3-2-4-6-17/h2-10,13H,11,14H2,1H3