N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C14H14N6O5S MolecularWeight: 378.36316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O5S/c1-8-6-11(17-16-8)13(22)18-19-14(26)15-12(21)7-25-10-4-2-9(3-5-10)20(23)24/h2-6H,7H2,1H3,(H,16,17)(H,18,22)(H2,15,19,21,26)