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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazole Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-4-25-18-11-14(2)5-10-17(18)26-12-19-22-23-20(24(19)3)27-13-15-6-8-16(21)9-7-15/h5-11H,4,12-13H2,1-3H3