N-[2-nitro-5-[2-(trifluoromethyl)phenyl]carbonyl-phenyl]-1,3,4-thiadiazole-2-sulfonamide

Systemtic Name: N-[2-nitro-5-[2-(trifluoromethyl)phenyl]carbonyl-phenyl]-1,3,4-thiadiazole-2-sulfonamide Openeye Name: N-[2-nitro-5-[2-(trifluoromethyl)benzoyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide CAS Name: N-[2-nitro-5-[oxo-[2-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide IUPAC Name: N-[2-nitro-5-[2-(trifluoromethyl)benzoyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide Traditional Name: N-[2-nitro-5-[2-(trifluoromethyl)benzoyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide Formula: C16H9F3N4O5S2 MolecularWeight: 458.39167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=NN=CS3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=NN=CS3)C(F)(F)F

InChI

InChI=1S/C16H9F3N4O5S2/c17-16(18,19)11-4-2-1-3-10(11)14(24)9-5-6-13(23(25)26)12(7-9)22-30(27,28)15-21-20-8-29-15/h1-8,22H