N1-(4-Pyridyl)-5-nitro-2-(phenylthio)benzamide

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Systematic / IUPAC Name: 5-Nitro-2-(phenylsulfanyl)-N-(4-pyridinyl)benzamide

ID: Reference5962

Other Names: Benzamide, 5-nitro-2-(phenylthio)-N-4-pyridinyl-

Formula: C18H13N3O3S

Spectral Data

N1-(4-Pyridyl)-5-nitro-2-(phenylthio)benzamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/15/2016 6:49:42 AM
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Identificators

InChI InChI=1S/C18H13N3O3S/c22-18(20-13-8-10-19-11-9-13)16-12-14(21(23)24)6-7-17(16)25-15-4-2-1-3-5-15/h1-12H,(H,19,20,22)
InChI Key RRBKFKHGHNYIOK-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=NC=C3
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Other Names Benzamide, 5-nitro-2-(phenylthio)-N-4-pyridinyl-

In Other Databases

PubChem 2807256
ChemSpider 2085717