ethyl 4-(4-chlorophenyl)-2-(4-thiomorpholin-4-ylphenyl)-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-(4-thiomorpholin-4-ylphenyl)-1H-imidazole-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-(4-thiomorpholinophenyl)-1H-imidazole-5-carboxylate CAS Name: 4-(4-chlorophenyl)-2-(4-thiomorpholin-4-ylphenyl)-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-(4-thiomorpholin-4-ylphenyl)-1H-imidazole-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-(4-thiomorpholinophenyl)-1H-imidazole-5-carboxylic acid ethyl ester Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1)C2=CC=C(C=C2)N3CCSCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1)C2=CC=C(C=C2)N3CCSCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-2-28-22(27)20-19(15-3-7-17(23)8-4-15)24-21(25-20)16-5-9-18(10-6-16)26-11-13-29-14-12-26/h3-10H,2,11-14H2,1H3,(H,24,25)