2-[(3-nitrophenyl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(3-nitrophenyl)methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[(3-nitrobenzyl)thio]-1-oxido-pyridin-1-ium Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=CC(=CC=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=CC(=CC=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H10N2O3S/c15-13-7-2-1-6-12(13)18-9-10-4-3-5-11(8-10)14(16)17/h1-8H,9H2