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

Systemtic Name: 2-(5-azanyl-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrakis(chloranyl)isoindole-1,3-dione Openeye Name: 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloro-isoindoline-1,3-dione CAS Name: 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione IUPAC Name: 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione Traditional Name: 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloro-isoindoline-1,3-quinone Formula: C16H7Cl4N5O2 MolecularWeight: 443.07108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl)N

InChI

InChI=1S/C16H7Cl4N5O2/c17-9-7-8(10(18)12(20)11(9)19)14(27)24(13(7)26)16-22-15(21)25(23-16)6-4-2-1-3-5-6/h1-5H,(H2,21,22,23)