3-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-4-ethyl-5-(2-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-4-ethyl-5-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-4-ethyl-5-(o-tolyl)-1,2,4-triazole CAS Name: 3-[2-(2,5-dimethylphenyl)sulfonylethylthio]-4-ethyl-5-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-4-ethyl-5-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-[2-(2,5-dimethylphenyl)sulfonylethylthio]-4-ethyl-5-(o-tolyl)-1,2,4-triazole Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCS(=O)(=O)C2=C(C=CC(=C2)C)C)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCCS(=O)(=O)C2=C(C=CC(=C2)C)C)C3=CC=CC=C3C

InChI

InChI=1S/C21H25N3O2S2/c1-5-24-20(18-9-7-6-8-16(18)3)22-23-21(24)27-12-13-28(25,26)19-14-15(2)10-11-17(19)4/h6-11,14H,5,12-13H2,1-4H3