2-(2,5-dimethylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-one

Systemtic Name: 2-(2,5-dimethylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-one Openeye Name: 2-(2,5-dimethylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-one CAS Name: 2-(2,5-dimethylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-one IUPAC Name: 2-(2,5-dimethylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-one Traditional Name: 2-(2,5-dimethylphenyl)-4-(1,2,4-triazol-1-yl)-3-pyrazolin-3-one Formula: C13H13N5O MolecularWeight: 255.27522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C(=CN2)N3C=NC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C(=CN2)N3C=NC=N3

InChI

InChI=1S/C13H13N5O/c1-9-3-4-10(2)11(5-9)18-13(19)12(6-15-18)17-8-14-7-16-17/h3-8,15H,1-2H3