N-[(5-bromanylpyridin-2-yl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(5-bromanylpyridin-2-yl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(5-bromo-2-pyridyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(5-bromo-2-pyridyl)thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C17H11BrN4O4S MolecularWeight: 447.26264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H11BrN4O4S/c18-10-5-8-15(19-9-10)20-17(27)21-16(23)14-7-6-13(26-14)11-3-1-2-4-12(11)22(24)25/h1-9H,(H2,19,20,21,23,27)