3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-isopropyl-1H-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-5-isopropyl-1H-1,2,4-triazole Formula: C13H16BrN3OS MolecularWeight: 342.25464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCCOC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)C1=NC(=NN1)SCCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrN3OS/c1-9(2)12-15-13(17-16-12)19-8-7-18-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,16,17)