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4-nitro-N-(pyridin-1-ium-1-ylsulfanylmethyl)benzamide

4-nitro-N-(pyridin-1-ium-1-ylsulfanylmethyl)benzamide

Systemtic Name:4-nitro-N-(pyridin-1-ium-1-ylsulfanylmethyl)benzamide
Openeye Name:4-nitro-N-(pyridin-1-ium-1-ylsulfanylmethyl)benzamide
CAS Name:4-nitro-N-[(1-pyridin-1-iumylthio)methyl]benzamide
IUPAC Name:4-nitro-N-(pyridin-1-ium-1-ylsulfanylmethyl)benzamide
Traditional Name:4-nitro-N-[(pyridin-1-ium-1-ylthio)methyl]benzamide
Formula: C13H12N3O3S+
MolecularWeight: 290.31768
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H11N3O3S/c17-13(11-4-6-12(7-5-11)16(18)19)14-10-20-15-8-2-1-3-9-15/h1-9H,10H2/p+1


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