5-(4-tert-butylphenyl)-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole

Systemtic Name: 5-(4-tert-butylphenyl)-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole Openeye Name: 5-(4-tert-butylphenyl)-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole CAS Name: 5-(4-tert-butylphenyl)-3-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-(4-tert-butylphenyl)-3-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-(4-tert-butylphenyl)-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole Formula: C19H20N4O2 MolecularWeight: 336.3877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NNC(=N2)C3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NNC(=N2)C3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O2/c1-12-11-14(7-10-16(12)23(24)25)18-20-17(21-22-18)13-5-8-15(9-6-13)19(2,3)4/h5-11H,1-4H3,(H,20,21,22)