4-ethyl-3-[3-(4-methoxyphenoxy)propylsulfanyl]-5-(phenylsulfonylmethyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[3-(4-methoxyphenoxy)propylsulfanyl]-5-(phenylsulfonylmethyl)-1,2,4-triazole Openeye Name: 3-(benzenesulfonylmethyl)-4-ethyl-5-[3-(4-methoxyphenoxy)propylsulfanyl]-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-4-ethyl-5-[3-(4-methoxyphenoxy)propylthio]-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-4-ethyl-5-[3-(4-methoxyphenoxy)propylsulfanyl]-1,2,4-triazole Traditional Name: 3-(besylmethyl)-4-ethyl-5-[3-(4-methoxyphenoxy)propylthio]-1,2,4-triazole Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCOC2=CC=C(C=C2)OC)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCCOC2=CC=C(C=C2)OC)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S2/c1-3-24-20(16-30(25,26)19-8-5-4-6-9-19)22-23-21(24)29-15-7-14-28-18-12-10-17(27-2)11-13-18/h4-6,8-13H,3,7,14-16H2,1-2H3