5-(3-nitrophenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-nitrophenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-nitrophenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]furan-2-carboxamide Traditional Name: N-(isonicotinamidothiocarbamoyl)-5-(3-nitrophenyl)-2-furamide Formula: C18H13N5O5S MolecularWeight: 411.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5O5S/c24-16(11-6-8-19-9-7-11)21-22-18(29)20-17(25)15-5-4-14(28-15)12-2-1-3-13(10-12)23(26)27/h1-10H,(H,21,24)(H2,20,22,25,29)