3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazole Openeye Name: 3-(benzenesulfonylmethyl)-5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[2-(3,5-dimethylphenoxy)ethylthio]-4-ethyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-(besylmethyl)-5-[2-(3,5-dimethylphenoxy)ethylthio]-4-ethyl-1,2,4-triazole Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/c1-4-24-20(15-29(25,26)19-8-6-5-7-9-19)22-23-21(24)28-11-10-27-18-13-16(2)12-17(3)14-18/h5-9,12-14H,4,10-11,15H2,1-3H3