2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]-3-phenyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]-3-phenyl-imidazole-4-carboxylic acid Openeye Name: 2-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]-3-phenyl-imidazole-4-carboxylic acid CAS Name: 2-[(4-cyano-2-fluorophenyl)methylthio]-3-phenyl-4-imidazolecarboxylic acid IUPAC Name: 2-[(4-cyano-2-fluorophenyl)methylsulfanyl]-3-phenylimidazole-4-carboxylic acid Traditional Name: 2-[(4-cyano-2-fluoro-benzyl)thio]-3-phenyl-imidazole-4-carboxylic acid Formula: C18H12FN3O2S MolecularWeight: 353.370183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CN=C2SCC3=C(C=C(C=C3)C#N)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CN=C2SCC3=C(C=C(C=C3)C#N)F)C(=O)O

InChI

InChI=1S/C18H12FN3O2S/c19-15-8-12(9-20)6-7-13(15)11-25-18-21-10-16(17(23)24)22(18)14-4-2-1-3-5-14/h1-8,10H,11H2,(H,23,24)