4-[2,1,3-benzoxadiazol-5-ylmethyl(1,2,4-triazol-1-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[2,1,3-benzoxadiazol-5-ylmethyl(1,2,4-triazol-1-yl)amino]benzenecarbonitrile Openeye Name: 4-[2,1,3-benzoxadiazol-5-ylmethyl(1,2,4-triazol-1-yl)amino]benzonitrile CAS Name: 4-[2,1,3-benzoxadiazol-5-ylmethyl(1,2,4-triazol-1-yl)amino]benzonitrile IUPAC Name: 4-[2,1,3-benzoxadiazol-5-ylmethyl(1,2,4-triazol-1-yl)amino]benzonitrile Traditional Name: 4-[benzofurazan-5-ylmethyl(1,2,4-triazol-1-yl)amino]benzonitrile Formula: C16H11N7O MolecularWeight: 317.30484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CC2=CC3=NON=C3C=C2)N4C=NC=N4

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CC2=CC3=NON=C3C=C2)N4C=NC=N4

InChI

InChI=1S/C16H11N7O/c17-8-12-1-4-14(5-2-12)22(23-11-18-10-19-23)9-13-3-6-15-16(7-13)21-24-20-15/h1-7,10-11H,9H2