3-iodanyl-4-methyl-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methyl-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiocarbamoyl]benzamide Formula: C14H14IN5O2S MolecularWeight: 443.26273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=NNC(=C2)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=NNC(=C2)C)I

InChI

InChI=1S/C14H14IN5O2S/c1-7-3-4-9(6-10(7)15)12(21)16-14(23)20-19-13(22)11-5-8(2)17-18-11/h3-6H,1-2H3,(H,17,18)(H,19,22)(H2,16,20,21,23)