4,5,6,7-tetrakis(chloranyl)-2-(5-phenyl-1H-1,2,4-triazol-3-yl)isoindole-1,3-dione

Systemtic Name: 4,5,6,7-tetrakis(chloranyl)-2-(5-phenyl-1H-1,2,4-triazol-3-yl)isoindole-1,3-dione Openeye Name: 4,5,6,7-tetrachloro-2-(5-phenyl-1H-1,2,4-triazol-3-yl)isoindoline-1,3-dione CAS Name: 4,5,6,7-tetrachloro-2-(5-phenyl-1H-1,2,4-triazol-3-yl)isoindole-1,3-dione IUPAC Name: 4,5,6,7-tetrachloro-2-(5-phenyl-1H-1,2,4-triazol-3-yl)isoindole-1,3-dione Traditional Name: 4,5,6,7-tetrachloro-2-(5-phenyl-1H-1,2,4-triazol-3-yl)isoindoline-1,3-quinone Formula: C16H6Cl4N4O2 MolecularWeight: 428.05644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl

InChI

InChI=1S/C16H6Cl4N4O2/c17-9-7-8(10(18)12(20)11(9)19)15(26)24(14(7)25)16-21-13(22-23-16)6-4-2-1-3-5-6/h1-5H,(H,21,22,23)