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

Systemtic Name: 5-(4-tert-butylphenyl)-3-(4-chloranyl-3-nitro-phenyl)-1H-1,2,4-triazole Openeye Name: 5-(4-tert-butylphenyl)-3-(4-chloro-3-nitro-phenyl)-1H-1,2,4-triazole CAS Name: 5-(4-tert-butylphenyl)-3-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-(4-tert-butylphenyl)-3-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-(4-tert-butylphenyl)-3-(4-chloro-3-nitro-phenyl)-1H-1,2,4-triazole Formula: C18H17ClN4O2 MolecularWeight: 356.80618

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O2/c1-18(2,3)13-7-4-11(5-8-13)16-20-17(22-21-16)12-6-9-14(19)15(10-12)23(24)25/h4-10H,1-3H3,(H,20,21,22)