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

Systemtic Name: 3-[4-(4-chloranylphenoxy)butylsulfanyl]-4-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazole Openeye Name: 3-(benzenesulfonylmethyl)-5-[4-(4-chlorophenoxy)butylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[4-(4-chlorophenoxy)butylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[4-(4-chlorophenoxy)butylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(besylmethyl)-5-[4-(4-chlorophenoxy)butylthio]-4-phenyl-1,2,4-triazole Formula: C25H24ClN3O3S2 MolecularWeight: 514.05936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCCOC3=CC=C(C=C3)Cl)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCCOC3=CC=C(C=C3)Cl)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24ClN3O3S2/c26-20-13-15-22(16-14-20)32-17-7-8-18-33-25-28-27-24(29(25)21-9-3-1-4-10-21)19-34(30,31)23-11-5-2-6-12-23/h1-6,9-16H,7-8,17-19H2