2-(5-azanyl-1-phenyl-1,2,4-triazol-3-yl)isoindole-1,3-dione

Systemtic Name: 2-(5-azanyl-1-phenyl-1,2,4-triazol-3-yl)isoindole-1,3-dione Openeye Name: 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)isoindoline-1,3-dione CAS Name: 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)isoindole-1,3-dione IUPAC Name: 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)isoindole-1,3-dione Traditional Name: 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)isoindoline-1,3-quinone Formula: C16H11N5O2 MolecularWeight: 305.29084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)N3C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)N3C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C16H11N5O2/c17-15-18-16(19-21(15)10-6-2-1-3-7-10)20-13(22)11-8-4-5-9-12(11)14(20)23/h1-9H,(H2,17,18,19)