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

Systemtic Name: 4-chloranyl-2-methyl-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: 4-chloro-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]-2-methyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]-2-methyl-pyrazole-3-carboxamide Formula: C12H10ClN5O4S MolecularWeight: 355.7569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

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