3-[(4-bromanylphenoxy)methyl]-5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-bromophenoxy)methyl]-5-methylsulfanyl-1,2,4-triazole CAS Name: 3-[(4-bromophenoxy)methyl]-5-(methylthio)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-bromophenoxy)methyl]-5-methylsulfanyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-bromophenoxy)methyl]-5-(methylthio)-1,2,4-triazole Formula: C17H16BrN3OS MolecularWeight: 390.29744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC2=CC=CC=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CSC1=NN=C(N1CC2=CC=CC=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3OS/c1-23-17-20-19-16(12-22-15-9-7-14(18)8-10-15)21(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3