2-[(4E)-1-(4-fluorophenyl)-5-oxidanylidene-4-(phenylmethylidene)imidazol-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[(4E)-1-(4-fluorophenyl)-5-oxidanylidene-4-(phenylmethylidene)imidazol-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[(4E)-1-(4-fluorophenyl)-5-oxo-4-(phenylmethylene)-2-imidazolyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[(4E)-4-benzal-1-(4-fluorophenyl)-5-keto-2-imidazolin-2-yl]thio]-N-propargyl-acetamide Formula: C21H16FN3O2S MolecularWeight: 393.434043

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=NC(=CC2=CC=CC=C2)C(=O)N1C3=CC=C(C=C3)F

Isomeric SMILES

C#CCNC(=O)CSC1=N/C(=C/C2=CC=CC=C2)/C(=O)N1C3=CC=C(C=C3)F

InChI

InChI=1S/C21H16FN3O2S/c1-2-12-23-19(26)14-28-21-24-18(13-15-6-4-3-5-7-15)20(27)25(21)17-10-8-16(22)9-11-17/h1,3-11,13H,12,14H2,(H,23,26)/b18-13+