2-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyliminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyliminomethyl]-4-nitro-phenolate CAS Name: 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyliminomethyl]-4-nitrophenolate Traditional Name: 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]ethyliminomethyl]-4-nitro-phenolate Formula: C15H10ClF3N3O3S- MolecularWeight: 404.77141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C=NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C=NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl)[O-]

InChI

InChI=1S/C15H11ClF3N3O3S/c16-12-6-10(15(17,18)19)8-21-14(12)26-4-3-20-7-9-5-11(22(24)25)1-2-13(9)23/h1-2,5-8,23H,3-4H2/p-1