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

Systemtic Name: 5-(4-tert-butylphenyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 5-(4-tert-butylphenyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole CAS Name: 5-(4-tert-butylphenyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-(4-tert-butylphenyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-(4-tert-butylphenyl)-3-(4-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=NC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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