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

Systemtic Name: 4-chloranyl-N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-chloro-N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-[(4-chloro-2-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C13H11Cl2N5O3S MolecularWeight: 388.22914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C13H11Cl2N5O3S/c1-6-10(15)11(19(2)18-6)12(21)17-13(24)16-8-4-3-7(14)5-9(8)20(22)23/h3-5H,1-2H3,(H2,16,17,21,24)