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

Systemtic Name: N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline Openeye Name: N-[[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]methyl]aniline CAS Name: N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline IUPAC Name: N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline Traditional Name: phenyl-[[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]methyl]amine Formula: C16H16N4 MolecularWeight: 264.32504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=N2)CNC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=N2)CNC3=CC=CC=C3

InChI

InChI=1S/C16H16N4/c1-12-7-9-13(10-8-12)16-18-15(19-20-16)11-17-14-5-3-2-4-6-14/h2-10,17H,11H2,1H3,(H,18,19,20)