3-[2,6-bis(fluoranyl)phenyl]-5-butyl-1H-1,2,4-triazole

Systemtic Name: 3-[2,6-bis(fluoranyl)phenyl]-5-butyl-1H-1,2,4-triazole Openeye Name: 5-butyl-3-(2,6-difluorophenyl)-1H-1,2,4-triazole CAS Name: 5-butyl-3-(2,6-difluorophenyl)-1H-1,2,4-triazole IUPAC Name: 5-butyl-3-(2,6-difluorophenyl)-1H-1,2,4-triazole Traditional Name: 5-butyl-3-(2,6-difluorophenyl)-1H-1,2,4-triazole Formula: C12H13F2N3 MolecularWeight: 237.248526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1)C2=C(C=CC=C2F)F

Isomeric SMILES

CCCCC1=NC(=NN1)C2=C(C=CC=C2F)F

InChI

InChI=1S/C12H13F2N3/c1-2-3-7-10-15-12(17-16-10)11-8(13)5-4-6-9(11)14/h4-6H,2-3,7H2,1H3,(H,15,16,17)