CAS Registry Number®
2140326-90-3
Molecular Formula
C8H5D3N2O2SCite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2140326-90-3 (retrieved ) (CAS RN: 2140326-90-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C8H8N2O2S/c1-10-13(11,12)8-4-2-7(6-9)3-5-8/h2-5,10H,1H3/i1D3
InChIKey
InChIKey=MLRQHFCCAKIMIK-FIBGUPNXSA-N
SMILES
S(NC([2H])([2H])[2H])(=O)(=O)C1=CC=C(C#N)C=C1
Canonical SMILES
N#CC1=CC=C(C=C1)S(=O)(=O)NC
