1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[(1,3-dioxoisoindolin-2-yl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[(1,3-dioxo-2-isoindolyl)methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[(1,3-dioxoisoindol-2-yl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-(phthalimidomethyl)-1,2,4-triazole-3-carbonitrile Formula: C12H7N5O2 MolecularWeight: 253.21628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CN3C=NC(=N3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CN3C=NC(=N3)C#N

InChI

InChI=1S/C12H7N5O2/c13-5-10-14-6-16(15-10)7-17-11(18)8-3-1-2-4-9(8)12(17)19/h1-4,6H,7H2