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

Systemtic Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethylsulfinyl-thieno[3,4-d]imidazole-4-carboxylate Openeye Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethylsulfinyl-thieno[3,4-d]imidazole-4-carboxylate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethylsulfinyl-4-thieno[3,4-d]imidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethylsulfinylthieno[3,4-d]imidazole-4-carboxylate Traditional Name: 3-[4-(2-cyanophenyl)benzyl]-2-ethylsulfinyl-thien[3,4-d]imidazole-4-carboxylic acid methyl ester Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=NC2=CSC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC

Isomeric SMILES

CCS(=O)C1=NC2=CSC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC

InChI

InChI=1S/C23H19N3O3S2/c1-3-31(28)23-25-19-14-30-21(22(27)29-2)20(19)26(23)13-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-24/h4-11,14H,3,13H2,1-2H3