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

Systemtic Name: N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-1-methyl-pyrazole-3-carboxamide Formula: C12H10ClN5O4S MolecularWeight: 355.7569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN5O4S/c1-17-3-2-8(16-17)11(20)15-12(23)14-9-5-6(18(21)22)4-7(13)10(9)19/h2-5,19H,1H3,(H2,14,15,20,23)