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

Systemtic Name: 3-[4-(4-chloranylphenoxy)butylsulfanyl]-4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazole Openeye Name: 3-(benzenesulfonylmethyl)-5-[4-(4-chlorophenoxy)butylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[4-(4-chlorophenoxy)butylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[4-(4-chlorophenoxy)butylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(besylmethyl)-5-[4-(4-chlorophenoxy)butylthio]-4-methyl-1,2,4-triazole Formula: C20H22ClN3O3S2 MolecularWeight: 451.98998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCCOC2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCCCCOC2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3O3S2/c1-24-19(15-29(25,26)18-7-3-2-4-8-18)22-23-20(24)28-14-6-5-13-27-17-11-9-16(21)10-12-17/h2-4,7-12H,5-6,13-15H2,1H3