ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-6-methyl-2-propyl-thieno[3,4-d]imidazole-4-carboxylate

Systemtic Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-6-methyl-2-propyl-thieno[3,4-d]imidazole-4-carboxylate Openeye Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-6-methyl-2-propyl-thieno[3,4-d]imidazole-4-carboxylate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-6-methyl-2-propyl-4-thieno[3,4-d]imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-6-methyl-2-propylthieno[3,4-d]imidazole-4-carboxylate Traditional Name: 3-[4-(2-cyanophenyl)benzyl]-6-methyl-2-propyl-thien[3,4-d]imidazole-4-carboxylic acid ethyl ester Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(SC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OCC)C

Isomeric SMILES

CCCC1=NC2=C(SC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OCC)C

InChI

InChI=1S/C26H25N3O2S/c1-4-8-22-28-23-17(3)32-25(26(30)31-5-2)24(23)29(22)16-18-11-13-19(14-12-18)21-10-7-6-9-20(21)15-27/h6-7,9-14H,4-5,8,16H2,1-3H3