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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazole Formula: C20H22BrN3OS MolecularWeight: 432.37718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3OS/c1-4-24-18(12-25-19-14(2)6-5-7-15(19)3)22-23-20(24)26-13-16-8-10-17(21)11-9-16/h5-11H,4,12-13H2,1-3H3