3-[(2,6-dimethylphenoxy)methyl]-4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-[(2,6-dimethylphenoxy)methyl]-4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(2,6-dimethylphenoxy)methyl]-4-ethyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(2,6-dimethylphenoxy)methyl]-4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(2,6-dimethylphenoxy)methyl]-4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(2,6-dimethylphenoxy)methyl]-4-ethyl-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C21H25N3OS MolecularWeight: 367.5077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C)COC3=C(C=CC=C3C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C)COC3=C(C=CC=C3C)C

InChI

InChI=1S/C21H25N3OS/c1-5-24-19(13-25-20-16(3)7-6-8-17(20)4)22-23-21(24)26-14-18-11-9-15(2)10-12-18/h6-12H,5,13-14H2,1-4H3