4-[1H-2,1,3-benzoxadiazol-3-ylmethyl(1,2,4-triazol-1-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[1H-2,1,3-benzoxadiazol-3-ylmethyl(1,2,4-triazol-1-yl)amino]benzenecarbonitrile Openeye Name: 4-[1H-2,1,3-benzoxadiazol-3-ylmethyl(1,2,4-triazol-1-yl)amino]benzonitrile CAS Name: 4-[1H-2,1,3-benzoxadiazol-3-ylmethyl(1,2,4-triazol-1-yl)amino]benzonitrile IUPAC Name: 4-[1H-2,1,3-benzoxadiazol-3-ylmethyl(1,2,4-triazol-1-yl)amino]benzonitrile Traditional Name: 4-[3H-benzofurazan-1-ylmethyl(1,2,4-triazol-1-yl)amino]benzonitrile Formula: C16H13N7O MolecularWeight: 319.32072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NON2CN(C3=CC=C(C=C3)C#N)N4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)NON2CN(C3=CC=C(C=C3)C#N)N4C=NC=N4

InChI

InChI=1S/C16H13N7O/c17-9-13-5-7-14(8-6-13)21(23-11-18-10-19-23)12-22-16-4-2-1-3-15(16)20-24-22/h1-8,10-11,20H,12H2