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

Systemtic Name: 3-[(2-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(2-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(2-bromophenyl)methylthio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(2-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(2-bromobenzyl)thio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Formula: C17H16BrN3OS MolecularWeight: 390.29744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H16BrN3OS/c1-21-16(12-7-9-14(22-2)10-8-12)19-20-17(21)23-11-13-5-3-4-6-15(13)18/h3-10H,11H2,1-2H3