2-chloranyl-N-[(5-iodanylpyridin-2-yl)carbamothioyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(5-iodanylpyridin-2-yl)carbamothioyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[(5-iodo-2-pyridyl)carbamothioyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[[(5-iodo-2-pyridinyl)amino]-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[(5-iodopyridin-2-yl)carbamothioyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[(5-iodo-2-pyridyl)thiocarbamoyl]-5-nitro-benzamide Formula: C13H8ClIN4O3S MolecularWeight: 462.65009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC(=S)NC2=NC=C(C=C2)I)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC(=S)NC2=NC=C(C=C2)I)Cl

InChI

InChI=1S/C13H8ClIN4O3S/c14-10-3-2-8(19(21)22)5-9(10)12(20)18-13(23)17-11-4-1-7(15)6-16-11/h1-6H,(H2,16,17,18,20,23)