4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide Formula: C21H16F3N3O5S MolecularWeight: 479.42905

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C21H16F3N3O5S/c22-21(23,24)15-5-1-2-6-16(15)26-20(29)13-7-8-18(17(10-13)27(30)31)33-12-19(28)25-11-14-4-3-9-32-14/h1-10H,11-12H2,(H,25,28)(H,26,29)