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

Systemtic Name: 5-(2-methoxyphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Openeye Name: 5-(2-methoxyphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole CAS Name: 5-(2-methoxyphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 5-(2-methoxyphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Traditional Name: 1-(4-mesylphenyl)-5-(2-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazole Formula: C17H14F3N3O3S MolecularWeight: 397.37157

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C17H14F3N3O3S/c1-26-14-6-4-3-5-13(14)15-21-16(17(18,19)20)22-23(15)11-7-9-12(10-8-11)27(2,24)25/h3-10H,1-2H3