4-pyren-1-yl-1,2,4-triazole-3,5-dione

Systemtic Name: 4-pyren-1-yl-1,2,4-triazole-3,5-dione Openeye Name: 4-pyren-1-yl-1,2,4-triazole-3,5-dione CAS Name: 4-(1-pyrenyl)-1,2,4-triazole-3,5-dione IUPAC Name: 4-pyren-1-yl-1,2,4-triazole-3,5-dione Traditional Name: 4-pyren-1-yl-1,2,4-triazole-3,5-quinone Formula: C18H9N3O2 MolecularWeight: 299.28296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)N5C(=O)N=NC5=O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)N5C(=O)N=NC5=O

InChI

InChI=1S/C18H9N3O2/c22-17-19-20-18(23)21(17)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H