3-[2-(4-chloranylphenoxy)ethylsulfanyl]-4-ethyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-chloranylphenoxy)ethylsulfanyl]-4-ethyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazole Openeye Name: 3-[2-(4-chlorophenoxy)ethylsulfanyl]-4-ethyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazole CAS Name: 3-[2-(4-chlorophenoxy)ethylthio]-4-ethyl-5-(3-methyl-2-benzofuranyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-chlorophenoxy)ethylsulfanyl]-4-ethyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazole Traditional Name: 3-[2-(4-chlorophenoxy)ethylthio]-4-ethyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazole Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C21H20ClN3O2S/c1-3-25-20(19-14(2)17-6-4-5-7-18(17)27-19)23-24-21(25)28-13-12-26-16-10-8-15(22)9-11-16/h4-11H,3,12-13H2,1-2H3