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

Systemtic Name: 4-bromanyl-N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1-methylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-1-methyl-pyrazole-3-carboxamide Formula: C12H9BrClN5O4S MolecularWeight: 434.65296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrClN5O4S/c1-18-4-6(13)9(17-18)11(21)16-12(24)15-8-3-5(19(22)23)2-7(14)10(8)20/h2-4,20H,1H3,(H2,15,16,21,24)