4-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyloxy)phenyl]-1H-pyrazol-3-one

Systemtic Name: 4-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyloxy)phenyl]-1H-pyrazol-3-one Openeye Name: 4-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-3-one CAS Name: 4-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-3-one IUPAC Name: 4-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-3-one Traditional Name: 4-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethoxy)phenyl]-3-pyrazolin-3-one Formula: C12H8F3N5O2 MolecularWeight: 311.21943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=CN2)N3C=NC=N3)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=CN2)N3C=NC=N3)OC(F)(F)F

InChI

InChI=1S/C12H8F3N5O2/c13-12(14,15)22-9-3-1-8(2-4-9)20-11(21)10(5-17-20)19-7-16-6-18-19/h1-7,17H