3-nitro-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-benzenesulfonamide

Systemtic Name: 3-nitro-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-benzenesulfonamide Openeye Name: 3-nitro-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]benzenesulfonamide CAS Name: 3-nitro-4-[[5-(trifluoromethyl)-2-pyridinyl]thio]benzenesulfonamide IUPAC Name: 3-nitro-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzenesulfonamide Traditional Name: 3-nitro-4-[[5-(trifluoromethyl)-2-pyridyl]thio]benzenesulfonamide Formula: C12H8F3N3O4S2 MolecularWeight: 379.33483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H8F3N3O4S2/c13-12(14,15)7-1-4-11(17-6-7)23-10-3-2-8(24(16,21)22)5-9(10)18(19)20/h1-6H,(H2,16,21,22)