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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazole Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O2S/c1-4-25-20(13-27-18-11-6-15(3)12-19(18)26-5-2)23-24-21(25)28-14-16-7-9-17(22)10-8-16/h6-12H,4-5,13-14H2,1-3H3