N-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-fluoranyl-aniline

Systemtic Name: N-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-fluoranyl-aniline Openeye Name: N-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-fluoro-aniline CAS Name: N-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-fluoroaniline IUPAC Name: N-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-fluoroaniline Traditional Name: [3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl-(4-fluorophenyl)amine Formula: C19H21FN4 MolecularWeight: 324.395243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)CNC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)CNC3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN4/c1-19(2,3)14-6-4-13(5-7-14)18-22-17(23-24-18)12-21-16-10-8-15(20)9-11-16/h4-11,21H,12H2,1-3H3,(H,22,23,24)