N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C19H11F3IN3O4S MolecularWeight: 561.27302

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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)NC3=C(C=C(C=C3)I)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H11F3IN3O4S/c20-19(21,22)13-9-11(23)4-5-14(13)24-18(31)25-17(27)16-7-6-15(30-16)10-2-1-3-12(8-10)26(28)29/h1-9H,(H2,24,25,27,31)