3-[(4-bromanylphenoxy)methyl]-4-(4-ethoxyphenyl)-5-propylsulfanyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-4-(4-ethoxyphenyl)-5-propylsulfanyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenoxy)methyl]-4-(4-ethoxyphenyl)-5-propylsulfanyl-1,2,4-triazole CAS Name: 3-[(4-bromophenoxy)methyl]-4-(4-ethoxyphenyl)-5-(propylthio)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenoxy)methyl]-4-(4-ethoxyphenyl)-5-propylsulfanyl-1,2,4-triazole Traditional Name: 3-[(4-bromophenoxy)methyl]-4-p-phenetyl-5-(propylthio)-1,2,4-triazole Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=C(C=C2)OCC)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=C(C=C2)OCC)COC3=CC=C(C=C3)Br

InChI

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