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

Systemtic Name: 5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,4-triazole Openeye Name: 5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,4-triazole CAS Name: 5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,4-triazole Traditional Name: 5-(4-mesylphenyl)-1-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,4-triazole Formula: C16H11F3N4O4S MolecularWeight: 412.34315

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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)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H11F3N4O4S/c1-28(26,27)13-8-2-10(3-9-13)14-20-15(16(17,18)19)21-22(14)11-4-6-12(7-5-11)23(24)25/h2-9H,1H3