N3-[(4-methylphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-[(4-methylphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine Openeye Name: 1-phenyl-N3-(p-tolylmethyl)-1,2,4-triazole-3,5-diamine CAS Name: N3-[(4-methylphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-[(4-methylphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine Traditional Name: (5-amino-1-phenyl-1,2,4-triazol-3-yl)-(4-methylbenzyl)amine Formula: C16H17N5 MolecularWeight: 279.33968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NN(C(=N2)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NN(C(=N2)N)C3=CC=CC=C3

InChI

InChI=1S/C16H17N5/c1-12-7-9-13(10-8-12)11-18-16-19-15(17)21(20-16)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H3,17,18,19,20)