N-[(5-iodanylpyridin-2-yl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(5-iodanylpyridin-2-yl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(5-iodo-2-pyridyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[(5-iodo-2-pyridinyl)amino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(5-iodopyridin-2-yl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(5-iodo-2-pyridyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C13H8IN5O5S MolecularWeight: 473.20259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1I)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=NC=C1I)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8IN5O5S/c14-8-1-2-11(15-6-8)16-13(25)17-12(20)7-3-9(18(21)22)5-10(4-7)19(23)24/h1-6H,(H2,15,16,17,20,25)