3-(4-methyl-3-nitro-phenyl)-5-[(2,4,6-trimethylcyclohexyl)methyl]-1H-1,2,4-triazole

Systemtic Name: 3-(4-methyl-3-nitro-phenyl)-5-[(2,4,6-trimethylcyclohexyl)methyl]-1H-1,2,4-triazole Openeye Name: 3-(4-methyl-3-nitro-phenyl)-5-[(2,4,6-trimethylcyclohexyl)methyl]-1H-1,2,4-triazole CAS Name: 3-(4-methyl-3-nitrophenyl)-5-[(2,4,6-trimethylcyclohexyl)methyl]-1H-1,2,4-triazole IUPAC Name: 3-(4-methyl-3-nitrophenyl)-5-[(2,4,6-trimethylcyclohexyl)methyl]-1H-1,2,4-triazole Traditional Name: 3-(4-methyl-3-nitro-phenyl)-5-[(2,4,6-trimethylcyclohexyl)methyl]-1H-1,2,4-triazole Formula: C19H26N4O2 MolecularWeight: 342.43534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C)CC2=NC(=NN2)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(C(C(C1)C)CC2=NC(=NN2)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H26N4O2/c1-11-7-13(3)16(14(4)8-11)10-18-20-19(22-21-18)15-6-5-12(2)17(9-15)23(24)25/h5-6,9,11,13-14,16H,7-8,10H2,1-4H3,(H,20,21,22)