5-[1-(4-chloranyl-2-methyl-phenoxy)ethyl]-3-(4-methylphenyl)-1H-1,2,4-triazole

Systemtic Name: 5-[1-(4-chloranyl-2-methyl-phenoxy)ethyl]-3-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 5-[1-(4-chloro-2-methyl-phenoxy)ethyl]-3-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-[1-(4-chloro-2-methylphenoxy)ethyl]-3-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 5-[1-(4-chloro-2-methylphenoxy)ethyl]-3-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 5-[1-(4-chloro-2-methyl-phenoxy)ethyl]-3-(p-tolyl)-1H-1,2,4-triazole Formula: C18H18ClN3O MolecularWeight: 327.80802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=N2)C(C)OC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=N2)C(C)OC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C18H18ClN3O/c1-11-4-6-14(7-5-11)18-20-17(21-22-18)13(3)23-16-9-8-15(19)10-12(16)2/h4-10,13H,1-3H3,(H,20,21,22)