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

Systemtic Name: 4-chloranyl-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiocarbamoyl]-3-nitro-benzamide Formula: C13H11ClN6O4S MolecularWeight: 382.78224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN6O4S/c1-6-4-9(17-16-6)12(22)18-19-13(25)15-11(21)7-2-3-8(14)10(5-7)20(23)24/h2-5H,1H3,(H,16,17)(H,18,22)(H2,15,19,21,25)