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

Systemtic Name: 4-ethyl-3-[3-(4-methoxyphenoxy)propylsulfanyl]-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-[3-(4-methoxyphenoxy)propylsulfanyl]-5-(p-tolylsulfonylmethyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[3-(4-methoxyphenoxy)propylthio]-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazole IUPAC Name: 4-ethyl-3-[3-(4-methoxyphenoxy)propylsulfanyl]-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-[3-(4-methoxyphenoxy)propylthio]-5-(tosylmethyl)-1,2,4-triazole Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c1-4-25-21(16-31(26,27)20-12-6-17(2)7-13-20)23-24-22(25)30-15-5-14-29-19-10-8-18(28-3)9-11-19/h6-13H,4-5,14-16H2,1-3H3