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

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[2-(4-bromophenoxy)ethylthio]-5-(2-methoxyphenyl)-1,2,4-triazole Formula: C20H20BrN3O2S MolecularWeight: 446.3607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCCOC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-3-12-24-19(17-6-4-5-7-18(17)25-2)22-23-20(24)27-14-13-26-16-10-8-15(21)9-11-16/h3-11H,1,12-14H2,2H3