N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C20H11F6N3O4S MolecularWeight: 503.374459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H11F6N3O4S/c21-19(22,23)10-7-11(20(24,25)26)9-12(8-10)27-18(34)28-17(30)16-6-5-15(33-16)13-3-1-2-4-14(13)29(31)32/h1-9H,(H2,27,28,30,34)