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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

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