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

Systemtic Name: 4-chloranyl-N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-2-methyl-pyrazole-3-carboxamide Openeye Name: 4-chloro-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-2-methyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2-methyl-pyrazole-3-carboxamide Formula: C12H9Cl2N5O4S MolecularWeight: 390.20196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H9Cl2N5O4S/c1-18-9(7(14)4-15-18)11(21)17-12(24)16-8-3-5(19(22)23)2-6(13)10(8)20/h2-4,20H,1H3,(H2,16,17,21,24)