4-bromanyl-2-[3-(1,2,4-triazol-1-yl)propyl]isoindole-1,3-dione

Systemtic Name: 4-bromanyl-2-[3-(1,2,4-triazol-1-yl)propyl]isoindole-1,3-dione Openeye Name: 4-bromo-2-[3-(1,2,4-triazol-1-yl)propyl]isoindoline-1,3-dione CAS Name: 4-bromo-2-[3-(1,2,4-triazol-1-yl)propyl]isoindole-1,3-dione IUPAC Name: 4-bromo-2-[3-(1,2,4-triazol-1-yl)propyl]isoindole-1,3-dione Traditional Name: 4-bromo-2-[3-(1,2,4-triazol-1-yl)propyl]isoindoline-1,3-quinone Formula: C13H11BrN4O2 MolecularWeight: 335.15604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Br)C(=O)N(C2=O)CCCN3C=NC=N3

Isomeric SMILES

C1=CC2=C(C(=C1)Br)C(=O)N(C2=O)CCCN3C=NC=N3

InChI

InChI=1S/C13H11BrN4O2/c14-10-4-1-3-9-11(10)13(20)18(12(9)19)6-2-5-17-8-15-7-16-17/h1,3-4,7-8H,2,5-6H2