ethyl 2-[2-(4-cyano-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]sulfanyl-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(4-cyano-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]sulfanyl-1H-imidazole-5-carboxylate Openeye Name: ethyl 2-[2-(4-cyano-3-fluoro-phenyl)-2-hydroxy-ethyl]sulfanyl-1H-imidazole-5-carboxylate CAS Name: 2-[[2-(4-cyano-3-fluorophenyl)-2-hydroxyethyl]thio]-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-cyano-3-fluorophenyl)-2-hydroxyethyl]sulfanyl-1H-imidazole-5-carboxylate Traditional Name: 2-[[2-(4-cyano-3-fluoro-phenyl)-2-hydroxy-ethyl]thio]-1H-imidazole-5-carboxylic acid ethyl ester Formula: C15H14FN3O3S MolecularWeight: 335.353363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N1)SCC(C2=CC(=C(C=C2)C#N)F)O

Isomeric SMILES

CCOC(=O)C1=CN=C(N1)SCC(C2=CC(=C(C=C2)C#N)F)O

InChI

InChI=1S/C15H14FN3O3S/c1-2-22-14(21)12-7-18-15(19-12)23-8-13(20)9-3-4-10(6-17)11(16)5-9/h3-5,7,13,20H,2,8H2,1H3,(H,18,19)