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

Systemtic Name: N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C13H11N7O6S MolecularWeight: 393.33474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N7O6S/c1-6-2-10(16-15-6)12(22)17-18-13(27)14-11(21)7-3-8(19(23)24)5-9(4-7)20(25)26/h2-5H,1H3,(H,15,16)(H,17,22)(H2,14,18,21,27)