3-(4-tert-butylphenyl)-5-(2-nitrophenyl)-1H-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-(2-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-(2-nitrophenyl)-1H-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-(2-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-(2-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-(2-nitrophenyl)-1H-1,2,4-triazole Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O2/c1-18(2,3)13-10-8-12(9-11-13)16-19-17(21-20-16)14-6-4-5-7-15(14)22(23)24/h4-11H,1-3H3,(H,19,20,21)