2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1-oxido-pyridin-1-ium CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxidopyridin-1-ium IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1-oxidopyridin-1-ium Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxido-pyridin-1-ium Formula: C12H7F3N2O3S MolecularWeight: 316.25579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7F3N2O3S/c13-12(14,15)8-4-5-10(9(7-8)17(19)20)21-11-3-1-2-6-16(11)18/h1-7H