4-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Formula: C10H5F6N3O MolecularWeight: 297.156619

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)N2C=NNC2=O)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)N2C=NNC2=O)C(F)(F)F

InChI

InChI=1S/C10H5F6N3O/c11-9(12,13)5-1-6(10(14,15)16)3-7(2-5)19-4-17-18-8(19)20/h1-4H,(H,18,20)