N-[4-[2-(4-nitrophenyl)sulfanylpropanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[2-(4-nitrophenyl)sulfanylpropanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide Openeye Name: N-[4-[2-(4-nitrophenyl)sulfanylpropanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide CAS Name: N-[4-[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]-3-(trifluoromethyl)phenyl]-2-furancarboxamide IUPAC Name: N-[4-[2-(4-nitrophenyl)sulfanylpropanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide Traditional Name: N-[4-[2-[(4-nitrophenyl)thio]propanoylamino]-3-(trifluoromethyl)phenyl]-2-furamide Formula: C21H16F3N3O5S MolecularWeight: 479.42905

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)C(F)(F)F)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)C(F)(F)F)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16F3N3O5S/c1-12(33-15-7-5-14(6-8-15)27(30)31)19(28)26-17-9-4-13(11-16(17)21(22,23)24)25-20(29)18-3-2-10-32-18/h2-12H,1H3,(H,25,29)(H,26,28)