2-[(1H-1,2,4-triazol-5-ylamino)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(1H-1,2,4-triazol-5-ylamino)methyl]isoindole-1,3-dione Openeye Name: 2-[(1H-1,2,4-triazol-5-ylamino)methyl]isoindoline-1,3-dione CAS Name: 2-[(1H-1,2,4-triazol-5-ylamino)methyl]isoindole-1,3-dione IUPAC Name: 2-[(1H-1,2,4-triazol-5-ylamino)methyl]isoindole-1,3-dione Traditional Name: 2-[(1H-1,2,4-triazol-5-ylamino)methyl]isoindoline-1,3-quinone Formula: C11H9N5O2 MolecularWeight: 243.22146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CNC3=NC=NN3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CNC3=NC=NN3

InChI

InChI=1S/C11H9N5O2/c17-9-7-3-1-2-4-8(7)10(18)16(9)6-13-11-12-5-14-15-11/h1-5H,6H2,(H2,12,13,14,15)