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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazole Formula: C22H26BrN3OS MolecularWeight: 460.43034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3OS/c1-5-26-20(14-27-19-12-8-17(9-13-19)22(2,3)4)24-25-21(26)28-15-16-6-10-18(23)11-7-16/h6-13H,5,14-15H2,1-4H3