(2,6-dimethylcyclohexyl) 2-bromanyl-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanoate

Systemtic Name: (2,6-dimethylcyclohexyl) 2-bromanyl-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: (2,6-dimethylcyclohexyl) 2-bromo-2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: 2-bromo-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid (2,6-dimethylcyclohexyl) ester IUPAC Name: (2,6-dimethylcyclohexyl) 2-bromo-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: 2-bromo-2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]acetic acid (2,6-dimethylcyclohexyl) ester Formula: C19H24BrN3O2 MolecularWeight: 406.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1OC(=O)C(C2=NC(=NN2)C3=CC=C(C=C3)C)Br)C

Isomeric SMILES

CC1CCCC(C1OC(=O)C(C2=NC(=NN2)C3=CC=C(C=C3)C)Br)C

InChI

InChI=1S/C19H24BrN3O2/c1-11-7-9-14(10-8-11)17-21-18(23-22-17)15(20)19(24)25-16-12(2)5-4-6-13(16)3/h7-10,12-13,15-16H,4-6H2,1-3H3,(H,21,22,23)