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

Systemtic Name: 4-chloranyl-N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-chloro-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2-ethylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2-ethyl-pyrazole-3-carboxamide Formula: C13H11Cl2N5O4S MolecularWeight: 404.22854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11Cl2N5O4S/c1-2-19-10(8(15)5-16-19)12(22)18-13(25)17-9-4-6(20(23)24)3-7(14)11(9)21/h3-5,21H,2H2,1H3,(H2,17,18,22,25)