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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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