3-nitro-4-sulfanyl-N-[4-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-nitro-4-sulfanyl-N-[4-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-nitro-4-sulfanyl-N-[4-(trifluoromethyl)phenyl]benzamide CAS Name: 4-mercapto-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-nitro-4-sulfanyl-N-[4-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-mercapto-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide Formula: C14H9F3N2O3S MolecularWeight: 342.29307

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C14H9F3N2O3S/c15-14(16,17)9-2-4-10(5-3-9)18-13(20)8-1-6-12(23)11(7-8)19(21)22/h1-7,23H,(H,18,20)