3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazole Formula: C21H24BrN3OS MolecularWeight: 446.40376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H24BrN3OS/c1-4-16-8-12-19(13-9-16)26-15(3)20-23-24-21(25(20)5-2)27-14-17-6-10-18(22)11-7-17/h6-13,15H,4-5,14H2,1-3H3