3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-4-phenyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-benzyl-5-[(3-bromo-4-methoxy-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C23H20BrN3OS MolecularWeight: 466.3934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C23H20BrN3OS/c1-28-21-13-12-18(14-20(21)24)16-29-23-26-25-22(15-17-8-4-2-5-9-17)27(23)19-10-6-3-7-11-19/h2-14H,15-16H2,1H3