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

Systemtic Name: 1-methyl-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]-1-methyl-pyrazole-3-carboxamide Formula: C12H11N5O4S MolecularWeight: 321.31184

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