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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazole Formula: C19H20BrN3OS MolecularWeight: 418.3506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)COC3=CC=CC(=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)COC3=CC=CC(=C3)C

InChI

InChI=1S/C19H20BrN3OS/c1-3-23-18(12-24-17-9-4-6-14(2)10-17)21-22-19(23)25-13-15-7-5-8-16(20)11-15/h4-11H,3,12-13H2,1-2H3