(1E,3E,5E)-7-cyano-1-isocyano-N,N'-diphenyl-hepta-1,3,5-triene-1,7-disulfonamide

Systemtic Name: (1E,3E,5E)-7-cyano-1-isocyano-N,N'-diphenyl-hepta-1,3,5-triene-1,7-disulfonamide Openeye Name: (1E,3E,5E)-7-cyano-1-isocyano-N,N'-diphenyl-hepta-1,3,5-triene-1,7-disulfonamide CAS Name: (1E,3E,5E)-7-cyano-1-isocyano-N,N'-diphenylhepta-1,3,5-triene-1,7-disulfonamide IUPAC Name: (1E,3E,5E)-7-cyano-1-isocyano-N,N'-diphenylhepta-1,3,5-triene-1,7-disulfonamide Traditional Name: (1E,3E,5E)-7-cyano-1-isocyano-N,N'-diphenyl-hepta-1,3,5-triene-1,7-disulfonamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C(=CC=CC=CC(C#N)S(=O)(=O)NC1=CC=CC=C1)S(=O)(=O)NC2=CC=CC=C2

Isomeric SMILES

[C-]#[N+]/C(=C\C=C\C=C\C(C#N)S(=O)(=O)NC1=CC=CC=C1)/S(=O)(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H18N4O4S2/c1-23-21(31(28,29)25-19-13-7-3-8-14-19)16-10-4-9-15-20(17-22)30(26,27)24-18-11-5-2-6-12-18/h2-16,20,24-25H/b10-4+,15-9+,21-16+