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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-])C

InChI

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