3-ethyl-2-(2-methylphenyl)-5,5-bis(trifluoromethyl)-1H-1,2,4-triazole

Systemtic Name: 3-ethyl-2-(2-methylphenyl)-5,5-bis(trifluoromethyl)-1H-1,2,4-triazole Openeye Name: 3-ethyl-2-(o-tolyl)-5,5-bis(trifluoromethyl)-1H-1,2,4-triazole CAS Name: 3-ethyl-2-(2-methylphenyl)-5,5-bis(trifluoromethyl)-1H-1,2,4-triazole IUPAC Name: 3-ethyl-2-(2-methylphenyl)-5,5-bis(trifluoromethyl)-1H-1,2,4-triazole Traditional Name: 3-ethyl-2-(o-tolyl)-5,5-bis(trifluoromethyl)-1H-1,2,4-triazole Formula: C13H13F6N3 MolecularWeight: 325.252839

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(NN1C2=CC=CC=C2C)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCC1=NC(NN1C2=CC=CC=C2C)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H13F6N3/c1-3-10-20-11(12(14,15)16,13(17,18)19)21-22(10)9-7-5-4-6-8(9)2/h4-7,21H,3H2,1-2H3