3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-chloranylphenoxy)methyl]-4-ethyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-chloranylphenoxy)methyl]-4-ethyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazole Formula: C22H26ClN3OS MolecularWeight: 415.97934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3OS/c1-5-26-20(14-27-19-12-10-18(23)11-13-19)24-25-21(26)28-15-16-6-8-17(9-7-16)22(2,3)4/h6-13H,5,14-15H2,1-4H3