4-[5-[2-(3-bromanylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[2-(3-bromanylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[2-(3-bromophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[2-(3-bromophenoxy)ethylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[2-(3-bromophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[2-(3-bromophenoxy)ethylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine Formula: C21H17BrN4OS MolecularWeight: 453.35488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC(=CC=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC(=CC=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C21H17BrN4OS/c22-17-5-4-8-19(15-17)27-13-14-28-21-25-24-20(16-9-11-23-12-10-16)26(21)18-6-2-1-3-7-18/h1-12,15H,13-14H2