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

Systemtic Name: N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiocarbamoyl]-3-nitro-benzamide Formula: C13H12N6O4S MolecularWeight: 348.33718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6O4S/c1-7-5-10(16-15-7)12(21)17-18-13(24)14-11(20)8-3-2-4-9(6-8)19(22)23/h2-6H,1H3,(H,15,16)(H,17,21)(H2,14,18,20,24)