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

Systemtic Name: 1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Openeye Name: 1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole CAS Name: 1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Traditional Name: 1-(4-bromophenyl)-5-(4-mesylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Formula: C16H11BrF3N3O2S MolecularWeight: 446.24165

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C16H11BrF3N3O2S/c1-26(24,25)13-8-2-10(3-9-13)14-21-15(16(18,19)20)22-23(14)12-6-4-11(17)5-7-12/h2-9H,1H3