ethyl 2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-1-(phenylmethyl)benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-1-(phenylmethyl)benzimidazole-5-carboxylate Openeye Name: ethyl 1-benzyl-2-[(3-chloro-2-fluoro-phenyl)methylsulfanyl]benzimidazole-5-carboxylate CAS Name: 2-[(3-chloro-2-fluorophenyl)methylthio]-1-(phenylmethyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2-[(3-chloro-2-fluorophenyl)methylsulfanyl]benzimidazole-5-carboxylate Traditional Name: 1-benzyl-2-[(3-chloro-2-fluoro-benzyl)thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C24H20ClFN2O2S MolecularWeight: 454.944203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=C(C(=CC=C3)Cl)F)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=C(C(=CC=C3)Cl)F)CC4=CC=CC=C4

InChI

InChI=1S/C24H20ClFN2O2S/c1-2-30-23(29)17-11-12-21-20(13-17)27-24(28(21)14-16-7-4-3-5-8-16)31-15-18-9-6-10-19(25)22(18)26/h3-13H,2,14-15H2,1H3