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

Systemtic Name: 1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Openeye Name: 1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole CAS Name: 1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Traditional Name: 5-(4-mesylphenyl)-1-(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)N2C(=NC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

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