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

Systemtic Name: 1-methyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-1-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=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

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