3-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-5-(o-tolyl)-1,2,4-triazole CAS Name: 3-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-5-(o-tolyl)-1,2,4-triazole Formula: C20H20ClN3 MolecularWeight: 337.8459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)C3(CCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)C3(CCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3/c1-14-6-3-4-7-17(14)18-22-23-19(24(18)2)20(12-5-13-20)15-8-10-16(21)11-9-15/h3-4,6-11H,5,12-13H2,1-2H3