3-[4-(4-chloranylphenoxy)butylsulfanyl]-4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazole

Systemtic Name: 3-[4-(4-chloranylphenoxy)butylsulfanyl]-4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazole Openeye Name: 3-(benzenesulfonylmethyl)-5-[4-(4-chlorophenoxy)butylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[4-(4-chlorophenoxy)butylthio]-4-ethyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[4-(4-chlorophenoxy)butylsulfanyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-(besylmethyl)-5-[4-(4-chlorophenoxy)butylthio]-4-ethyl-1,2,4-triazole Formula: C21H24ClN3O3S2 MolecularWeight: 466.01656

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCCOC2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCCCOC2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O3S2/c1-2-25-20(16-30(26,27)19-8-4-3-5-9-19)23-24-21(25)29-15-7-6-14-28-18-12-10-17(22)11-13-18/h3-5,8-13H,2,6-7,14-16H2,1H3