4-methyl-2-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]-1H-pyrazol-3-one

Systemtic Name: 4-methyl-2-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]-1H-pyrazol-3-one Openeye Name: 4-methyl-2-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]-1H-pyrazol-3-one CAS Name: 4-methyl-2-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]-1H-pyrazol-3-one IUPAC Name: 4-methyl-2-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]-1H-pyrazol-3-one Traditional Name: 4-methyl-2-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]-3-pyrazolin-3-one Formula: C13H12N6O MolecularWeight: 268.27398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)C2=CC=CC=C2)C=NN3C=NN=C3

Isomeric SMILES

CC1=C(NN(C1=O)C2=CC=CC=C2)/C=N/N3C=NN=C3

InChI

InChI=1S/C13H12N6O/c1-10-12(7-16-18-8-14-15-9-18)17-19(13(10)20)11-5-3-2-4-6-11/h2-9,17H,1H3/b16-7+