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

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-5-(2-ethoxyethylsulfanyl)-4-(4-ethoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenoxy)methyl]-5-(2-ethoxyethylsulfanyl)-4-(4-ethoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenoxy)methyl]-5-(2-ethoxyethylthio)-4-(4-ethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenoxy)methyl]-5-(2-ethoxyethylsulfanyl)-4-(4-ethoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromophenoxy)methyl]-5-(2-ethoxyethylthio)-4-p-phenetyl-1,2,4-triazole Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC1=NN=C(N1C2=CC=C(C=C2)OCC)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCOCCSC1=NN=C(N1C2=CC=C(C=C2)OCC)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H24BrN3O3S/c1-3-26-13-14-29-21-24-23-20(15-28-19-9-5-16(22)6-10-19)25(21)17-7-11-18(12-8-17)27-4-2/h5-12H,3-4,13-15H2,1-2H3