5-bromanyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2-furamide Formula: C12H8BrN3O5S MolecularWeight: 386.17802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(O2)Br)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(O2)Br)O

InChI

InChI=1S/C12H8BrN3O5S/c13-10-4-3-9(21-10)11(18)15-12(22)14-7-5-6(16(19)20)1-2-8(7)17/h1-5,17H,(H2,14,15,18,22)