5-butyl-3-(4-fluorophenyl)-1H-1,2,4-triazole

Systemtic Name: 5-butyl-3-(4-fluorophenyl)-1H-1,2,4-triazole Openeye Name: 5-butyl-3-(4-fluorophenyl)-1H-1,2,4-triazole CAS Name: 5-butyl-3-(4-fluorophenyl)-1H-1,2,4-triazole IUPAC Name: 5-butyl-3-(4-fluorophenyl)-1H-1,2,4-triazole Traditional Name: 5-butyl-3-(4-fluorophenyl)-1H-1,2,4-triazole Formula: C12H14FN3 MolecularWeight: 219.258063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14FN3/c1-2-3-4-11-14-12(16-15-11)9-5-7-10(13)8-6-9/h5-8H,2-4H2,1H3,(H,14,15,16)