1-ethyl-3-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazole

Systemtic Name: 1-ethyl-3-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazole Openeye Name: 1-ethyl-5-(4-nitrophenyl)-3-(p-tolyl)-1,2,4-triazole CAS Name: 1-ethyl-3-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazole IUPAC Name: 1-ethyl-3-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 1-ethyl-5-(4-nitrophenyl)-3-(p-tolyl)-1,2,4-triazole Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=N1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NC(=N1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O2/c1-3-20-17(14-8-10-15(11-9-14)21(22)23)18-16(19-20)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3