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

Systemtic Name: 4-ethyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-(p-tolylsulfonylmethyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[2-(4-methoxyphenoxy)ethylthio]-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazole IUPAC Name: 4-ethyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-[2-(4-methoxyphenoxy)ethylthio]-5-(tosylmethyl)-1,2,4-triazole Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)CS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)CS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3O4S2/c1-4-24-20(15-30(25,26)19-11-5-16(2)6-12-19)22-23-21(24)29-14-13-28-18-9-7-17(27-3)8-10-18/h5-12H,4,13-15H2,1-3H3