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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(2-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(2-methoxyphenyl)-1H-1,2,4-triazole Formula: C16H14BrN3OS MolecularWeight: 376.27086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=NN2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=NN2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H14BrN3OS/c1-21-14-8-3-2-7-13(14)15-18-16(20-19-15)22-10-11-5-4-6-12(17)9-11/h2-9H,10H2,1H3,(H,18,19,20)