5-(4-ethoxyphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 5-(4-ethoxyphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Openeye Name: 5-(4-ethoxyphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole CAS Name: 5-(4-ethoxyphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 5-(4-ethoxyphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Traditional Name: 1-(4-mesylphenyl)-5-p-phenetyl-3-(trifluoromethyl)-1,2,4-triazole Formula: C18H16F3N3O3S MolecularWeight: 411.39815

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O3S/c1-3-27-14-8-4-12(5-9-14)16-22-17(18(19,20)21)23-24(16)13-6-10-15(11-7-13)28(2,25)26/h4-11H,3H2,1-2H3