3-nitro-1-oxidanidyl-2-(phenylmethylsulfanyl)pyridin-1-ium

Systemtic Name: 3-nitro-1-oxidanidyl-2-(phenylmethylsulfanyl)pyridin-1-ium Openeye Name: 2-benzylsulfanyl-3-nitro-1-oxido-pyridin-1-ium CAS Name: 3-nitro-1-oxido-2-(phenylmethylthio)pyridin-1-ium IUPAC Name: 2-benzylsulfanyl-3-nitro-1-oxidopyridin-1-ium Traditional Name: 2-(benzylthio)-3-nitro-1-oxido-pyridin-1-ium Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CC=[N+]2[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CC=[N+]2[O-])[N+](=O)[O-]

InChI

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