2-[2-(1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(1H-1,2,4-triazol-5-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(1H-1,2,4-triazol-5-yl)ethyl]isoindoline-1,3-quinone Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC=NN3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC=NN3

InChI

InChI=1S/C12H10N4O2/c17-11-8-3-1-2-4-9(8)12(18)16(11)6-5-10-13-7-14-15-10/h1-4,7H,5-6H2,(H,13,14,15)