1-(3-fluoranyl-4-methylsulfonyl-phenyl)-5-phenyl-3-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 1-(3-fluoranyl-4-methylsulfonyl-phenyl)-5-phenyl-3-(trifluoromethyl)-1,2,4-triazole Openeye Name: 1-(3-fluoro-4-methylsulfonyl-phenyl)-5-phenyl-3-(trifluoromethyl)-1,2,4-triazole CAS Name: 1-(3-fluoro-4-methylsulfonylphenyl)-5-phenyl-3-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 1-(3-fluoro-4-methylsulfonylphenyl)-5-phenyl-3-(trifluoromethyl)-1,2,4-triazole Traditional Name: 1-(3-fluoro-4-mesyl-phenyl)-5-phenyl-3-(trifluoromethyl)-1,2,4-triazole Formula: C16H11F4N3O2S MolecularWeight: 385.336053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F4N3O2S/c1-26(24,25)13-8-7-11(9-12(13)17)23-14(10-5-3-2-4-6-10)21-15(22-23)16(18,19)20/h2-9H,1H3