5-(3-nitrophenyl)-N-(pyridin-3-ylmethylcarbamothioyl)furan-2-carboxamide

Systemtic Name: 5-(3-nitrophenyl)-N-(pyridin-3-ylmethylcarbamothioyl)furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-(3-pyridylmethylcarbamothioyl)furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-nitrophenyl)-N-(pyridin-3-ylmethylcarbamothioyl)furan-2-carboxamide Traditional Name: 5-(3-nitrophenyl)-N-(3-pyridylmethylthiocarbamoyl)-2-furamide Formula: C18H14N4O4S MolecularWeight: 382.39316

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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)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C18H14N4O4S/c23-17(21-18(27)20-11-12-3-2-8-19-10-12)16-7-6-15(26-16)13-4-1-5-14(9-13)22(24)25/h1-10H,11H2,(H2,20,21,23,27)