5-(2-bromophenyl)-3-[3-(4-fluoranylphenoxy)propylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(2-bromophenyl)-3-[3-(4-fluoranylphenoxy)propylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-bromophenyl)-3-[3-(4-fluorophenoxy)propylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-bromophenyl)-3-[3-(4-fluorophenoxy)propylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-bromophenyl)-3-[3-(4-fluorophenoxy)propylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-bromophenyl)-3-[3-(4-fluorophenoxy)propylthio]-1H-1,2,4-triazole Formula: C17H15BrFN3OS MolecularWeight: 408.287903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCCCOC3=CC=C(C=C3)F)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCCCOC3=CC=C(C=C3)F)Br

InChI

InChI=1S/C17H15BrFN3OS/c18-15-5-2-1-4-14(15)16-20-17(22-21-16)24-11-3-10-23-13-8-6-12(19)7-9-13/h1-2,4-9H,3,10-11H2,(H,20,21,22)