tert-butyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: tert-butyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: tert-butyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylthio)-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylthio)imidazole-4-carboxylic acid tert-butyl ester Formula: C21H19Cl3N2O2S MolecularWeight: 469.81176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N(C(=N1)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl)SC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N(C(=N1)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl)SC

InChI

InChI=1S/C21H19Cl3N2O2S/c1-21(2,3)28-20(27)17-19(29-4)26(14-8-5-12(22)6-9-14)18(25-17)15-10-7-13(23)11-16(15)24/h5-11H,1-4H3