5-[(4-butan-2-yl-2,6-dimethyl-cyclohexyl)methyl]-3-(3-chlorophenyl)-1H-1,2,4-triazole

Systemtic Name: 5-[(4-butan-2-yl-2,6-dimethyl-cyclohexyl)methyl]-3-(3-chlorophenyl)-1H-1,2,4-triazole Openeye Name: 3-(3-chlorophenyl)-5-[(2,6-dimethyl-4-sec-butyl-cyclohexyl)methyl]-1H-1,2,4-triazole CAS Name: 5-[(4-butan-2-yl-2,6-dimethylcyclohexyl)methyl]-3-(3-chlorophenyl)-1H-1,2,4-triazole IUPAC Name: 5-[(4-butan-2-yl-2,6-dimethylcyclohexyl)methyl]-3-(3-chlorophenyl)-1H-1,2,4-triazole Traditional Name: 3-(3-chlorophenyl)-5-[(2,6-dimethyl-4-sec-butyl-cyclohexyl)methyl]-1H-1,2,4-triazole Formula: C21H30ClN3 MolecularWeight: 359.936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1CC(C(C(C1)C)CC2=NC(=NN2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCC(C)C1CC(C(C(C1)C)CC2=NC(=NN2)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H30ClN3/c1-5-13(2)17-9-14(3)19(15(4)10-17)12-20-23-21(25-24-20)16-7-6-8-18(22)11-16/h6-8,11,13-15,17,19H,5,9-10,12H2,1-4H3,(H,23,24,25)