2-[(4E)-1-ethyl-4-[(2-fluorophenyl)methylidene]-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-hexyl-ethanamide

Systemtic Name: 2-[(4E)-1-ethyl-4-[(2-fluorophenyl)methylidene]-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-hexyl-ethanamide Openeye Name: 2-[(4E)-1-ethyl-4-[(2-fluorophenyl)methylene]-5-oxo-imidazol-2-yl]sulfanyl-N-hexyl-acetamide CAS Name: 2-[[(4E)-1-ethyl-4-[(2-fluorophenyl)methylidene]-5-oxo-2-imidazolyl]thio]-N-hexylacetamide IUPAC Name: 2-[(4E)-1-ethyl-4-[(2-fluorophenyl)methylidene]-5-oxoimidazol-2-yl]sulfanyl-N-hexylacetamide Traditional Name: 2-[[(4E)-1-ethyl-4-(2-fluorobenzylidene)-5-keto-2-imidazolin-2-yl]thio]-N-hexyl-acetamide Formula: C20H26FN3O2S MolecularWeight: 391.502743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC(=CC2=CC=CC=C2F)C(=O)N1CC

Isomeric SMILES

CCCCCCNC(=O)CSC1=N/C(=C/C2=CC=CC=C2F)/C(=O)N1CC

InChI

InChI=1S/C20H26FN3O2S/c1-3-5-6-9-12-22-18(25)14-27-20-23-17(19(26)24(20)4-2)13-15-10-7-8-11-16(15)21/h7-8,10-11,13H,3-6,9,12,14H2,1-2H3,(H,22,25)/b17-13+