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

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazole Openeye Name: 3-(benzenesulfonylmethyl)-5-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[2-(4-tert-butylphenoxy)ethylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(besylmethyl)-5-[2-(4-tert-butylphenoxy)ethylthio]-4-methyl-1,2,4-triazole Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NN=C(N2C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NN=C(N2C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S2/c1-22(2,3)17-10-12-18(13-11-17)28-14-15-29-21-24-23-20(25(21)4)16-30(26,27)19-8-6-5-7-9-19/h5-13H,14-16H2,1-4H3