N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-1-ethyl-pyrazole-4-carboxamide

Systemtic Name: N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-1-ethyl-pyrazole-4-carboxamide Openeye Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-1-ethyl-pyrazole-4-carboxamide CAS Name: N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-1-ethyl-4-pyrazolecarboxamide IUPAC Name: N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1-ethylpyrazole-4-carboxamide Traditional Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-1-ethyl-pyrazole-4-carboxamide Formula: C13H12ClN5O4S MolecularWeight: 369.78348

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN5O4S/c1-2-18-6-7(5-15-18)12(21)17-13(24)16-10-4-8(19(22)23)3-9(14)11(10)20/h3-6,20H,2H2,1H3,(H2,16,17,21,24)