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

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazole Openeye Name: 3-(benzenesulfonylmethyl)-5-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[2-(4-tert-butylphenoxy)ethylthio]-4-ethyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-(besylmethyl)-5-[2-(4-tert-butylphenoxy)ethylthio]-4-ethyl-1,2,4-triazole Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S2/c1-5-26-21(17-31(27,28)20-9-7-6-8-10-20)24-25-22(26)30-16-15-29-19-13-11-18(12-14-19)23(2,3)4/h6-14H,5,15-17H2,1-4H3