bmse011033 NMR Quality Control Of Fragment Libraries For Screening at BMRB

N-(4-cyanophenyl)thiophene-2-carboxamide

N-(4-cyanophenyl)thiophene-2-carboxamide bmse011033 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Graphical representations:

View large 3D structure

Molecular Formula: C12H8N2OS

Natural Isotopic Abundance Mass: 228.26971999999992

Mono-Isotopic Molecular Masses:

C12N14: 228.035733886
C13N14: 240.07599194200006
C12N15: 230.029803672
C13N15: 242.07006172800007

InChI string: InChI=1S/C12H8N2OS/c13-8-9-3-5-10(6-4-9)14-12(15)11-2-1-7-16-11/h1-7H,(H,14,15)

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)