N-(1,3-benzodioxol-5-ylmethyl)-2-[(4E)-5-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4E)-5-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4E)-5-oxo-1-phenyl-4-(2-pyridylmethylene)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(4E)-5-oxo-1-phenyl-4-(2-pyridinylmethylidene)-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4E)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[(4E)-5-keto-1-phenyl-4-(2-pyridylmethylene)-2-imidazolin-2-yl]thio]-N-piperonyl-acetamide Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=CC4=CC=CC=N4)C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=N/C(=C/C4=CC=CC=N4)/C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O4S/c30-23(27-14-17-9-10-21-22(12-17)33-16-32-21)15-34-25-28-20(13-18-6-4-5-11-26-18)24(31)29(25)19-7-2-1-3-8-19/h1-13H,14-16H2,(H,27,30)/b20-13+