4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-3-phenyl-1,2,4-triazol-4-ium

Systemtic Name: 4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-3-phenyl-1,2,4-triazol-4-ium Openeye Name: 1-tert-butyl-4-(2,4-difluorophenyl)-3-phenyl-1,2,4-triazol-4-ium CAS Name: 1-tert-butyl-4-(2,4-difluorophenyl)-3-phenyl-1,2,4-triazol-4-ium IUPAC Name: 1-tert-butyl-4-(2,4-difluorophenyl)-3-phenyl-1,2,4-triazol-4-ium Traditional Name: 1-tert-butyl-4-(2,4-difluorophenyl)-3-phenyl-1,2,4-triazol-4-ium Formula: C18H18F2N3+ MolecularWeight: 314.352426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2)C3=C(C=C(C=C3)F)F

Isomeric SMILES

CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C18H18F2N3/c1-18(2,3)23-12-22(16-10-9-14(19)11-15(16)20)17(21-23)13-7-5-4-6-8-13/h4-12H,1-3H3/q+1