3-[(4-bromophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C22H18BrN3OS MolecularWeight: 452.36682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3OS/c1-27-20-10-6-5-9-19(20)21-24-25-22(26(21)18-7-3-2-4-8-18)28-15-16-11-13-17(23)14-12-16/h2-14H,15H2,1H3