(3R)-3-ethanoyl-6-phenyl-3H-pyrazolo[5,1-c][1,2,4]triazole-7-carbonitrile

Systemtic Name: (3R)-3-ethanoyl-6-phenyl-3H-pyrazolo[5,1-c][1,2,4]triazole-7-carbonitrile Openeye Name: (3R)-3-acetyl-6-phenyl-3H-pyrazolo[5,1-c][1,2,4]triazole-7-carbonitrile CAS Name: (3R)-3-acetyl-6-phenyl-3H-pyrazolo[5,1-c][1,2,4]triazole-7-carbonitrile IUPAC Name: (3R)-3-acetyl-6-phenyl-3H-pyrazolo[5,1-c][1,2,4]triazole-7-carbonitrile Traditional Name: (3R)-3-acetyl-6-phenyl-3H-pyrazolo[5,1-c][1,2,4]triazole-7-carbonitrile Formula: C13H9N5O MolecularWeight: 251.24346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1N=NC2=C(C(=NN12)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(=O)[C@H]1N=NC2=C(C(=NN12)C3=CC=CC=C3)C#N

InChI

InChI=1S/C13H9N5O/c1-8(19)12-15-16-13-10(7-14)11(17-18(12)13)9-5-3-2-4-6-9/h2-6,12H,1H3/t12-/m0/s1