N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]nicotinamide Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H10N4O4S/c18-11-4-3-9(17(20)21)6-10(11)15-13(22)16-12(19)8-2-1-5-14-7-8/h1-7,18H,(H2,15,16,19,22)