3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-dec-9-enyl-1H-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-dec-9-enyl-1H-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-dec-9-enyl-1H-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-dec-9-enyl-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-dec-9-enyl-1H-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-5-dec-9-enyl-1H-1,2,4-triazole Formula: C20H28BrN3OS MolecularWeight: 438.42482

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCCCC1=NC(=NN1)SCCOC2=CC=C(C=C2)Br

Isomeric SMILES

C=CCCCCCCCCC1=NC(=NN1)SCCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H28BrN3OS/c1-2-3-4-5-6-7-8-9-10-19-22-20(24-23-19)26-16-15-25-18-13-11-17(21)12-14-18/h2,11-14H,1,3-10,15-16H2,(H,22,23,24)