3-[4-(3-ethylsulfonylpropyl)-2-methyl-phenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole

Systemtic Name: 3-[4-(3-ethylsulfonylpropyl)-2-methyl-phenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Openeye Name: 3-[4-(3-ethylsulfonylpropyl)-2-methyl-phenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole CAS Name: 3-[4-(3-ethylsulfonylpropyl)-2-methylphenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[4-(3-ethylsulfonylpropyl)-2-methylphenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Traditional Name: 3-[4-(3-esylpropyl)-2-methyl-phenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Formula: C22H24F3N3O2S MolecularWeight: 451.50507

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCCC1=CC(=C(C=C1)C2=NN=C(N2C)C3=CC=CC=C3C(F)(F)F)C

Isomeric SMILES

CCS(=O)(=O)CCCC1=CC(=C(C=C1)C2=NN=C(N2C)C3=CC=CC=C3C(F)(F)F)C

InChI

InChI=1S/C22H24F3N3O2S/c1-4-31(29,30)13-7-8-16-11-12-17(15(2)14-16)20-26-27-21(28(20)3)18-9-5-6-10-19(18)22(23,24)25/h5-6,9-12,14H,4,7-8,13H2,1-3H3