2-iodanyl-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2-iodanyl-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]benzamide Openeye Name: 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide CAS Name: 2-iodo-N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide Traditional Name: 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiocarbamoyl]benzamide Formula: C13H12IN5O2S MolecularWeight: 429.23615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2I

Isomeric SMILES

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C13H12IN5O2S/c1-7-6-10(17-16-7)12(21)18-19-13(22)15-11(20)8-4-2-3-5-9(8)14/h2-6H,1H3,(H,16,17)(H,18,21)(H2,15,19,20,22)