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

Systemtic Name: 2-methyl-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]-2-methyl-pyrazole-3-carboxamide Formula: C12H11N5O4S MolecularWeight: 321.31184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O4S/c1-16-9(4-5-13-16)11(19)15-12(22)14-8-3-2-7(17(20)21)6-10(8)18/h2-6,18H,1H3,(H2,14,15,19,22)