1-oxidanidyl-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide

Systemtic Name: 1-oxidanidyl-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: 1-oxido-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: 1-oxido-N-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: 1-oxido-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: 1-oxido-N-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]benzofurazan-1-ium-5-carboxamide Formula: C15H9F3N4O3S MolecularWeight: 382.31717

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC3=NO[N+](=C3C=C2)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC3=NO[N+](=C3C=C2)[O-])C(F)(F)F

InChI

InChI=1S/C15H9F3N4O3S/c16-15(17,18)9-2-1-3-10(7-9)19-14(26)20-13(23)8-4-5-12-11(6-8)21-25-22(12)24/h1-7H,(H2,19,20,23,26)