3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Formula: C18H18BrN3O2S MolecularWeight: 420.32342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H18BrN3O2S/c1-22-17(13-3-7-15(23-2)8-4-13)20-21-18(22)25-12-11-24-16-9-5-14(19)6-10-16/h3-10H,11-12H2,1-2H3